[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate

C155H149Cl2F2N19O24 — CID 158984675

IUPAC[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
SMILESCC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cncc(F)c1.CC[C@H](OC(=O)N[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)Nc2ccccc2O)cc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cncc(Cl)c1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](OC(=O)NC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](OC(=O)N[C@@]1(c2cccnc2)CCNC1)c1ccc(C(=O)Nc2ccccc2O)cc1.O=C(NCc1cnccc1Cl)O[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C29H26ClN3O4.C27H22ClN3O4.C26H27N3O4.C25H26N4O4.2C24H24FN3O4/c1-2-26(19-12-14-21(15-13-19)28(35)32-24-10-6-7-11-25(24)34)37-29(36)33-27(20-8-4-3-5-9-20)22-16-23(30)18-31-17-22;28-22-14-15-29-16-21(22)17-30-27(34)35-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(33)31-23-8-4-5-9-24(23)32;1-18(33-25(32)29-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(31)28-22-8-2-3-9-23(22)30;1-17(33-24(32)29-25(12-14-27-16-25)20-5-4-13-26-15-20)18-8-10-19(11-9-18)23(31)28-21-6-2-3-7-22(21)30;1-3-22(32-24(31)27-15(2)18-12-19(25)14-26-13-18)16-8-10-17(11-9-16)23(30)28-20-6-4-5-7-21(20)29;1-3-20(18-12-19(25)14-26-13-18)28-24(31)32-15(2)16-8-10-17(11-9-16)23(30)27-21-6-4-5-7-22(21)29/h3-18,26-27,34H,2H2,1H3,(H,32,35)(H,33,36);1-16,25,32H,17H2,(H,30,34)(H,31,33);2-3,6-13,16-18,30H,4-5,14-15H2,1H3,(H,28,31)(H,29,32);2-11,13,15,17,27,30H,12,14,16H2,1H3,(H,28,31)(H,29,32);4-15,22,29H,3H2,1-2H3,(H,27,31)(H,28,30);4-15,20,29H,3H2,1-2H3,(H,27,30)(H,28,31)/t26-,27-;25-;18-;17-,25-;15-,22-;15-,20-/m000000/s1
InChIKeyJPKSYJQUQZHSAI-HQFBNTAZSA-N
MW2770.91 g/mol
LogP31.61
Rot. Bonds41

About [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate

[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate (PubChem CID 158984675) has the molecular formula C155H149Cl2F2N19O24 and a molecular weight of 2770.91 g/mol. Its IUPAC name is [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate.

Molecular Properties

Compound Name[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
PubChem CID158984675
Molecular FormulaC155H149Cl2F2N19O24
Molecular Weight2770.91 g/mol
Exact Mass2768.04
IUPAC Name[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
SMILESCC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cncc(F)c1.CC[C@H](OC(=O)N[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)Nc2ccccc2O)cc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cncc(Cl)c1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](OC(=O)NC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](OC(=O)N[C@@]1(c2cccnc2)CCNC1)c1ccc(C(=O)Nc2ccccc2O)cc1.O=C(NCc1cnccc1Cl)O[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C29H26ClN3O4.C27H22ClN3O4.C26H27N3O4.C25H26N4O4.2C24H24FN3O4/c1-2-26(19-12-14-21(15-13-19)28(35)32-24-10-6-7-11-25(24)34)37-29(36)33-27(20-8-4-3-5-9-20)22-16-23(30)18-31-17-22;28-22-14-15-29-16-21(22)17-30-27(34)35-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(33)31-23-8-4-5-9-24(23)32;1-18(33-25(32)29-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(31)28-22-8-2-3-9-23(22)30;1-17(33-24(32)29-25(12-14-27-16-25)20-5-4-13-26-15-20)18-8-10-19(11-9-18)23(31)28-21-6-2-3-7-22(21)30;1-3-22(32-24(31)27-15(2)18-12-19(25)14-26-13-18)16-8-10-17(11-9-16)23(30)28-20-6-4-5-7-21(20)29;1-3-20(18-12-19(25)14-26-13-18)28-24(31)32-15(2)16-8-10-17(11-9-16)23(30)27-21-6-4-5-7-22(21)29/h3-18,26-27,34H,2H2,1H3,(H,32,35)(H,33,36);1-16,25,32H,17H2,(H,30,34)(H,31,33);2-3,6-13,16-18,30H,4-5,14-15H2,1H3,(H,28,31)(H,29,32);2-11,13,15,17,27,30H,12,14,16H2,1H3,(H,28,31)(H,29,32);4-15,22,29H,3H2,1-2H3,(H,27,31)(H,28,30);4-15,20,29H,3H2,1-2H3,(H,27,30)(H,28,31)/t26-,27-;25-;18-;17-,25-;15-,22-;15-,20-/m000000/s1
InChIKeyJPKSYJQUQZHSAI-HQFBNTAZSA-N
XLogP31.61
TPSA615.33 Ų
H-Bond Donors19
H-Bond Acceptors31
Rotatable Bonds41
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002770.91
LogP ≤ 531.61
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate with MolForge

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Related Compounds

[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate
CID 59544617
(4-chloro-3-pyridinyl)methyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(S)-(5-chloro-3-pyridinyl)-phenylmethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;(1-pyridin-3-ylcyclopentyl) N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(3S)-3-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]pyrrolidin-3-yl]carbamate;[(1S)-1-pyridin-3-ylpropyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;4-[[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamoyloxymethyl]benzoic acid
CID 157101112
CID 157194392
CID 157194392
(4-chloro-3-pyridinyl)methyl N-[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl]carbamate;[(S)-(5-chloro-3-pyridinyl)-phenylmethyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;4-[[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamoyloxymethyl]benzoic acid;(1-pyridin-3-ylcyclopentyl) N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(3S)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]pyrrolidin-3-yl]carbamate;[(1S)-1-pyridin-3-ylpropyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate
CID 158310210
4-[[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]carbamoyloxymethyl]benzoic acid;[(S)-(3-chlorophenyl)-phenylmethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]carbamate;(4-chloro-3-pyridinyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]carbamate;(1-pyridin-3-ylcyclopentyl) N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(3S)-3-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]carbamate
CID 158516567
[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
CID 158662805
[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
CID 158779617
[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 159064702
CID 160890847
CID 160890847

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate?
The IUPAC name of [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate (CID 158984675) is [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate.
What is the SMILES notation for [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate?
The canonical SMILES for [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate is CC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cncc(F)c1.CC[C@H](OC(=O)N[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)Nc2ccccc2O)cc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cncc(Cl)c1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](OC(=O)NC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](OC(=O)N[C@@]1(c2cccnc2)CCNC1)c1ccc(C(=O)Nc2ccccc2O)cc1.O=C(NCc1cnccc1Cl)O[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2O)cc1.
What is the InChIKey of [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate?
The InChIKey is JPKSYJQUQZHSAI-HQFBNTAZSA-N. The full InChI is InChI=1S/C29H26ClN3O4.C27H22ClN3O4.C26H27N3O4.C25H26N4O4.2C24H24FN3O4/c1-2-26(19-12-14-21(15-13-19)28(35)32-24-10-6-7-11-25(24)34)37-29(36)33-27(20-8-4-3-5-9-20)22-16-23(30)18-31-17-22;28-22-14-15-29-16-21(22)17-30-27(34)35-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(33)31-23-8-4-5-9-24(23)32;1-18(33-25(32)29-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(31)28-22-8-2-3-9-23(22)30;1-17(33-24(32)29-25(12-14-27-16-25)20-5-4-13-26-15-20)18-8-10-19(11-9-18)23(31)28-21-6-2-3-7-22(21)30;1-3-22(32-24(31)27-15(2)18-12-19(25)14-26-13-18)16-8-10-17(11-9-16)23(30)28-20-6-4-5-7-21(20)29;1-3-20(18-12-19(25)14-26-13-18)28-24(31)32-15(2)16-8-10-17(11-9-16)23(30)27-21-6-4-5-7-22(21)29/h3-18,26-27,34H,2H2,1H3,(H,32,35)(H,33,36);1-16,25,32H,17H2,(H,30,34)(H,31,33);2-3,6-13,16-18,30H,4-5,14-15H2,1H3,(H,28,31)(H,29,32);2-11,13,15,17,27,30H,12,14,16H2,1H3,(H,28,31)(H,29,32);4-15,22,29H,3H2,1-2H3,(H,27,31)(H,28,30);4-15,20,29H,3H2,1-2H3,(H,27,30)(H,28,31)/t26-,27-;25-;18-;17-,25-;15-,22-;15-,20-/m000000/s1.
What are the key properties of [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate?
[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate has a molecular weight of 2770.91 g/mol, XLogP of 31.61, 41 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate is sourced from PubChem (CID 158984675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).