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

C155H152Cl2FN23O20 — CID 158516567

About 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

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 (PubChem CID 158516567) has the molecular formula C155H152Cl2FN23O20 and a molecular weight of 2746.97 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158516567
• Molecular Formula: C155H152Cl2FN23O20
• Molecular Weight: 2746.97 g/mol
• Exact Mass: 2744.09
• IUPAC Name: 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
• SMILES: CC[C@H](NC(=O)O[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)Nc2ccccc2N)cc1.CC[C@H](NC(=O)O[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccc(C(=O)Nc2ccccc2N)cc1.C[C@H](NC(=O)OC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2N)cc1.C[C@H](NC(=O)OCc1ccc(C(=O)O)cc1)c1ccc(C(=O)Nc2ccccc2N)cc1.Nc1ccccc1NC(=O)c1ccc([C@@H](NC(=O)OCc2cnccc2Cl)c2ccccc2)cc1.Nc1ccccc1NC(=O)c1ccc([C@@]2(NC(=O)OCc3cccnc3)CCNC2)cc1
• InChI: InChI=1S/C30H28ClN3O3.C27H23ClN4O3.C26H28N4O3.C24H25FN4O3.C24H25N5O3.C24H23N3O5/c1-2-26(20-15-17-22(18-16-20)29(35)33-27-14-7-6-13-25(27)32)34-30(36)37-28(21-9-4-3-5-10-21)23-11-8-12-24(31)19-23;28-22-14-15-30-16-21(22)17-35-27(34)32-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(33)31-24-9-5-4-8-23(24)29;1-18(29-25(32)33-26(14-4-5-15-26)21-7-6-16-28-17-21)19-10-12-20(13-11-19)24(31)30-23-9-3-2-8-22(23)27;1-3-21(29-24(31)32-15(2)18-12-19(25)14-27-13-18)16-8-10-17(11-9-16)23(30)28-22-7-5-4-6-20(22)26;25-20-5-1-2-6-21(20)28-22(30)18-7-9-19(10-8-18)24(11-13-27-16-24)29-23(31)32-15-17-4-3-12-26-14-17;1-15(26-24(31)32-14-16-6-8-19(9-7-16)23(29)30)17-10-12-18(13-11-17)22(28)27-21-5-3-2-4-20(21)25/h3-19,26,28H,2,32H2,1H3,(H,33,35)(H,34,36);1-16,25H,17,29H2,(H,31,33)(H,32,34);2-3,6-13,16-18H,4-5,14-15,27H2,1H3,(H,29,32)(H,30,31);4-15,21H,3,26H2,1-2H3,(H,28,30)(H,29,31);1-10,12,14,27H,11,13,15-16,25H2,(H,28,30)(H,29,31);2-13,15H,14,25H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t26-,28-;25-;18-;15-,21-;24-;15-/m000010/s1
• InChIKey: HLRWLDLPJRGMKJ-COMIVXKHSA-N
• XLogP: 30.13
• TPSA: 661.59 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 30
• Rotatable Bonds: 41
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2746.97
LogP ≤ 5	30.13
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC[C@H](NC(=O)O[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)Nc2ccccc2N)cc1.CC[C@H](NC(=O)O[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccc(C(=O)Nc2ccccc2N)cc1.C[C@H](NC(=O)OC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2N)cc1.C[C@H](NC(=O)OCc1ccc(C(=O)O)cc1)c1ccc(C(=O)Nc2ccccc2N)cc1.Nc1ccccc1NC(=O)c1ccc([C@@H](NC(=O)OCc2cnccc2Cl)c2ccccc2)cc1.Nc1ccccc1NC(=O)c1ccc([C@@]2(NC(=O)OCc3cccnc3)CCNC2)cc1.

What is the InChIKey of 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?

The InChIKey is HLRWLDLPJRGMKJ-COMIVXKHSA-N. The full InChI is InChI=1S/C30H28ClN3O3.C27H23ClN4O3.C26H28N4O3.C24H25FN4O3.C24H25N5O3.C24H23N3O5/c1-2-26(20-15-17-22(18-16-20)29(35)33-27-14-7-6-13-25(27)32)34-30(36)37-28(21-9-4-3-5-10-21)23-11-8-12-24(31)19-23;28-22-14-15-30-16-21(22)17-35-27(34)32-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(33)31-24-9-5-4-8-23(24)29;1-18(29-25(32)33-26(14-4-5-15-26)21-7-6-16-28-17-21)19-10-12-20(13-11-19)24(31)30-23-9-3-2-8-22(23)27;1-3-21(29-24(31)32-15(2)18-12-19(25)14-27-13-18)16-8-10-17(11-9-16)23(30)28-22-7-5-4-6-20(22)26;25-20-5-1-2-6-21(20)28-22(30)18-7-9-19(10-8-18)24(11-13-27-16-24)29-23(31)32-15-17-4-3-12-26-14-17;1-15(26-24(31)32-14-16-6-8-19(9-7-16)23(29)30)17-10-12-18(13-11-17)22(28)27-21-5-3-2-4-20(21)25/h3-19,26,28H,2,32H2,1H3,(H,33,35)(H,34,36);1-16,25H,17,29H2,(H,31,33)(H,32,34);2-3,6-13,16-18H,4-5,14-15,27H2,1H3,(H,29,32)(H,30,31);4-15,21H,3,26H2,1-2H3,(H,28,30)(H,29,31);1-10,12,14,27H,11,13,15-16,25H2,(H,28,30)(H,29,31);2-13,15H,14,25H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t26-,28-;25-;18-;15-,21-;24-;15-/m000010/s1.

What are the key properties of 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?

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 has a molecular weight of 2746.97 g/mol, XLogP of 30.13, 41 rotatable bonds, 20 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158516567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).