N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide)

C228H262F13N33O21 — CID 167636858

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide)
SMILESCN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(CN5CCCCC5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/C40H46FN5O3.4C33H40FN5O3.2C28H28F4N4O3/c1-44(2)34-15-8-29(9-16-34)10-18-38(47)43-37-26-33(41)14-17-36(37)40(48)46-24-20-35(21-25-46)49-39-19-13-32(27-42-39)31-11-6-30(7-12-31)28-45-22-4-3-5-23-45;2*1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-12-9-25(34)22-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;2*1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-22-25(34)9-12-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)24-15-20(29)6-9-23(24)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32;1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)23-9-6-20(29)15-24(23)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32/h6-9,11-17,19,26-27,35H,3-5,10,18,20-25,28H2,1-2H3,(H,43,47);4*6-7,9-12,14,17,22-23,28H,3-5,8,13,15-16,18-21H2,1-2H3,(H,36,40);2*3-10,15-16,22H,11-14,17H2,1-2H3,(H,33,37)/t;;;;;2*22-/m.....11/s1
InChIKeyOPGUDYOSFISOMA-UVVOLEAWSA-N
MW4047.79 g/mol
LogP38.47
Rot. Bonds63

About N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide)

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide) (PubChem CID 167636858) has the molecular formula C228H262F13N33O21 and a molecular weight of 4047.79 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide).

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide)
PubChem CID167636858
Molecular FormulaC228H262F13N33O21
Molecular Weight4047.79 g/mol
Exact Mass4045.02
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide)
SMILESCN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(CN5CCCCC5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/C40H46FN5O3.4C33H40FN5O3.2C28H28F4N4O3/c1-44(2)34-15-8-29(9-16-34)10-18-38(47)43-37-26-33(41)14-17-36(37)40(48)46-24-20-35(21-25-46)49-39-19-13-32(27-42-39)31-11-6-30(7-12-31)28-45-22-4-3-5-23-45;2*1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-12-9-25(34)22-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;2*1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-22-25(34)9-12-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)24-15-20(29)6-9-23(24)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32;1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)23-9-6-20(29)15-24(23)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32/h6-9,11-17,19,26-27,35H,3-5,10,18,20-25,28H2,1-2H3,(H,43,47);4*6-7,9-12,14,17,22-23,28H,3-5,8,13,15-16,18-21H2,1-2H3,(H,36,40);2*3-10,15-16,22H,11-14,17H2,1-2H3,(H,33,37)/t;;;;;2*22-/m.....11/s1
InChIKeyOPGUDYOSFISOMA-UVVOLEAWSA-N
XLogP38.47
TPSA539.59 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds63
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004047.79
LogP ≤ 538.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Analyze N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide) with MolForge

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Related Compounds

2-(2,6-Dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione
CID 134481427
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155798
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155823
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155845
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155849
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155866
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide
CID 156155867
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide
CID 156155888
4-[6-[1-[2-[[4-(dimethylamino)phenyl]methylamino]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide
CID 156155891
(2S)-2-[(1S)-1-cyclohexylethyl]-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-[(1S)-1-cyclohexylethyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;N-[(3S,4R)-4-cyclohexyloxy-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[1-(4-fluorophenyl)ethyl]-4-oxo-4-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 157450549
N-(2-aminoethyl)-2-[(2R)-4-[2-[(3S)-3-aminopyrrolidin-1-yl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-3-(2-ethoxy-3-pyridinyl)-6-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-fluorobenzamide;6-[(2R)-4-[2-(difluoromethyl)-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-3-(2-ethoxy-3-pyridinyl)-2-fluorobenzamide;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(2-ethoxy-3-pyridinyl)-6-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-fluorobenzamide;N-[2-(dimethylamino)ethyl]-3-(2-ethoxy-3-pyridinyl)-6-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-fluorobenzamide
CID 157660252
(4-Ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 158536473

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide)?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide) (CID 167636858) is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide).
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide)?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide) is CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(CN5CCCCC5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide)?
The InChIKey is OPGUDYOSFISOMA-UVVOLEAWSA-N. The full InChI is InChI=1S/C40H46FN5O3.4C33H40FN5O3.2C28H28F4N4O3/c1-44(2)34-15-8-29(9-16-34)10-18-38(47)43-37-26-33(41)14-17-36(37)40(48)46-24-20-35(21-25-46)49-39-19-13-32(27-42-39)31-11-6-30(7-12-31)28-45-22-4-3-5-23-45;2*1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-12-9-25(34)22-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;2*1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-22-25(34)9-12-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)24-15-20(29)6-9-23(24)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32;1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)23-9-6-20(29)15-24(23)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32/h6-9,11-17,19,26-27,35H,3-5,10,18,20-25,28H2,1-2H3,(H,43,47);4*6-7,9-12,14,17,22-23,28H,3-5,8,13,15-16,18-21H2,1-2H3,(H,36,40);2*3-10,15-16,22H,11-14,17H2,1-2H3,(H,33,37)/t;;;;;2*22-/m.....11/s1.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide)?
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide) has a molecular weight of 4047.79 g/mol, XLogP of 38.47, 63 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide) is sourced from PubChem (CID 167636858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).