3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide

C154H112F24N22O20S2 — CID 160562118

IUPAC3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOC(=O)c1cc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cs1.N#Cc1cncc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)c1.Nc1cnc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2ccc(CN3CCCC3)s2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cnc(OCCO)nc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cnccn2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C23H21F3N2O2S.C20H16F3N3O4.C20H12F3N3O2.C20H14F3NO4S.C18H13F3N4O2.2C18H12F3N3O2.C17H12F3N3O2/c24-23(25,26)30-19-8-6-18(7-9-19)27-22(29)17-5-3-4-16(14-17)21-11-10-20(31-21)15-28-12-1-2-13-28;21-20(22,23)30-17-6-4-16(5-7-17)26-18(28)14-3-1-2-13(10-14)15-11-24-19(25-12-15)29-9-8-27;21-20(22,23)28-18-6-4-17(5-7-18)26-19(27)15-3-1-2-14(9-15)16-8-13(10-24)11-25-12-16;1-27-19(26)17-10-14(11-29-17)12-3-2-4-13(9-12)18(25)24-15-5-7-16(8-6-15)28-20(21,22)23;19-18(20,21)27-14-6-4-13(5-7-14)25-17(26)12-3-1-2-11(8-12)15-9-24-16(22)10-23-15;19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14;19-18(20,21)26-15-6-4-14(5-7-15)24-17(25)13-3-1-2-12(10-13)16-11-22-8-9-23-16;18-17(19,20)25-15-6-4-13(5-7-15)22-16(24)12-2-1-3-14(10-12)23-9-8-21-11-23/h3-11,14H,1-2,12-13,15H2,(H,27,29);1-7,10-12,27H,8-9H2,(H,26,28);1-9,11-12H,(H,26,27);2-11H,1H3,(H,24,25);1-10H,(H2,22,24)(H,25,26);2*1-11H,(H,24,25);1-11H,(H,22,24)
InChIKeyQZLLCFYJWOQRLR-UHFFFAOYSA-N
MW3110.81 g/mol
LogP36.44
Rot. Bonds38

About 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide

3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 160562118) has the molecular formula C154H112F24N22O20S2 and a molecular weight of 3110.81 g/mol. Its IUPAC name is 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID160562118
Molecular FormulaC154H112F24N22O20S2
Molecular Weight3110.81 g/mol
Exact Mass3108.75
IUPAC Name3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOC(=O)c1cc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cs1.N#Cc1cncc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)c1.Nc1cnc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2ccc(CN3CCCC3)s2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cnc(OCCO)nc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cnccn2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C23H21F3N2O2S.C20H16F3N3O4.C20H12F3N3O2.C20H14F3NO4S.C18H13F3N4O2.2C18H12F3N3O2.C17H12F3N3O2/c24-23(25,26)30-19-8-6-18(7-9-19)27-22(29)17-5-3-4-16(14-17)21-11-10-20(31-21)15-28-12-1-2-13-28;21-20(22,23)30-17-6-4-16(5-7-17)26-18(28)14-3-1-2-13(10-14)15-11-24-19(25-12-15)29-9-8-27;21-20(22,23)28-18-6-4-17(5-7-18)26-19(27)15-3-1-2-14(9-15)16-8-13(10-24)11-25-12-16;1-27-19(26)17-10-14(11-29-17)12-3-2-4-13(9-12)18(25)24-15-5-7-16(8-6-15)28-20(21,22)23;19-18(20,21)27-14-6-4-13(5-7-14)25-17(26)12-3-1-2-11(8-12)15-9-24-16(22)10-23-15;19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14;19-18(20,21)26-15-6-4-14(5-7-15)24-17(25)13-3-1-2-12(10-13)16-11-22-8-9-23-16;18-17(19,20)25-15-6-4-13(5-7-15)22-16(24)12-2-1-3-14(10-12)23-9-8-21-11-23/h3-11,14H,1-2,12-13,15H2,(H,27,29);1-7,10-12,27H,8-9H2,(H,26,28);1-9,11-12H,(H,26,27);2-11H,1H3,(H,24,25);1-10H,(H2,22,24)(H,25,26);2*1-11H,(H,24,25);1-11H,(H,22,24)
InChIKeyQZLLCFYJWOQRLR-UHFFFAOYSA-N
XLogP36.44
TPSA549.28 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003110.81
LogP ≤ 536.44
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

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Related Compounds

8-Benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
CID 158059767
5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;methyl 3-[[[5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]methyl]benzoate;3-[[[5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]methyl]benzoic acid;5-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 159541509
3-(6-amino-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-ylbenzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 160155336
3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 161439513
3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-ylbenzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 161477596
5-[2-[4-[(carbamoylamino)methyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;ethyl 3-[[4-[5-[(3-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzoate;5-[2-(4-methoxyanilino)pyrimidin-4-yl]-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide;N-[(3-methoxyphenyl)methyl]-5-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 157638628

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 160562118) is 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide is COC(=O)c1cc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cs1.N#Cc1cncc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)c1.Nc1cnc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2ccc(CN3CCCC3)s2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cnc(OCCO)nc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cnccn2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is QZLLCFYJWOQRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2S.C20H16F3N3O4.C20H12F3N3O2.C20H14F3NO4S.C18H13F3N4O2.2C18H12F3N3O2.C17H12F3N3O2/c24-23(25,26)30-19-8-6-18(7-9-19)27-22(29)17-5-3-4-16(14-17)21-11-10-20(31-21)15-28-12-1-2-13-28;21-20(22,23)30-17-6-4-16(5-7-17)26-18(28)14-3-1-2-13(10-14)15-11-24-19(25-12-15)29-9-8-27;21-20(22,23)28-18-6-4-17(5-7-18)26-19(27)15-3-1-2-14(9-15)16-8-13(10-24)11-25-12-16;1-27-19(26)17-10-14(11-29-17)12-3-2-4-13(9-12)18(25)24-15-5-7-16(8-6-15)28-20(21,22)23;19-18(20,21)27-14-6-4-13(5-7-14)25-17(26)12-3-1-2-11(8-12)15-9-24-16(22)10-23-15;19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14;19-18(20,21)26-15-6-4-14(5-7-15)24-17(25)13-3-1-2-12(10-13)16-11-22-8-9-23-16;18-17(19,20)25-15-6-4-13(5-7-15)22-16(24)12-2-1-3-14(10-12)23-9-8-21-11-23/h3-11,14H,1-2,12-13,15H2,(H,27,29);1-7,10-12,27H,8-9H2,(H,26,28);1-9,11-12H,(H,26,27);2-11H,1H3,(H,24,25);1-10H,(H2,22,24)(H,25,26);2*1-11H,(H,24,25);1-11H,(H,22,24).
What are the key properties of 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 3110.81 g/mol, XLogP of 36.44, 38 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 160562118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).