N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide

C150H138Cl5FN12O10 — CID 163995921

IUPACN-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide
SMILESO=C(NC(Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2ccccc2c1.O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc(-c2ccccc2)cc1.O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2c(-c3ccccc3)n[nH]c2c1.O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2cc(F)ccc2c1.O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C32H29ClN4O2.C31H29ClN2O2.C29H26ClFN2O2.2C29H27ClN2O2/c33-26-16-13-23(14-17-26)20-29(32(39)34-19-7-10-22-8-3-1-4-9-22)35-31(38)25-15-18-27-28(21-25)36-37-30(27)24-11-5-2-6-12-24;32-28-19-13-24(14-20-28)22-29(31(36)33-21-7-10-23-8-3-1-4-9-23)34-30(35)27-17-15-26(16-18-27)25-11-5-2-6-12-25;30-25-13-8-21(9-14-25)17-27(29(35)32-16-4-7-20-5-2-1-3-6-20)33-28(34)24-11-10-23-19-26(31)15-12-22(23)18-24;2*30-26-16-12-22(13-17-26)19-27(29(34)31-18-6-9-21-7-2-1-3-8-21)32-28(33)25-15-14-23-10-4-5-11-24(23)20-25/h1-6,8-9,11-18,21,29H,7,10,19-20H2,(H,34,39)(H,35,38)(H,36,37);1-6,8-9,11-20,29H,7,10,21-22H2,(H,33,36)(H,34,35);1-3,5-6,8-15,18-19,27H,4,7,16-17H2,(H,32,35)(H,33,34);2*1-5,7-8,10-17,20,27H,6,9,18-19H2,(H,31,34)(H,32,33)/t2*29-;2*27-;/m0001./s1
InChIKeyUERMFFDOFOQLHG-BGMJUMEESA-N
MW2465.09 g/mol
LogP28.96
Rot. Bonds47

About N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide

N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide (PubChem CID 163995921) has the molecular formula C150H138Cl5FN12O10 and a molecular weight of 2465.09 g/mol. Its IUPAC name is N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide
PubChem CID163995921
Molecular FormulaC150H138Cl5FN12O10
Molecular Weight2465.09 g/mol
Exact Mass2460.91
IUPAC NameN-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide
SMILESO=C(NC(Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2ccccc2c1.O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc(-c2ccccc2)cc1.O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2c(-c3ccccc3)n[nH]c2c1.O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2cc(F)ccc2c1.O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C32H29ClN4O2.C31H29ClN2O2.C29H26ClFN2O2.2C29H27ClN2O2/c33-26-16-13-23(14-17-26)20-29(32(39)34-19-7-10-22-8-3-1-4-9-22)35-31(38)25-15-18-27-28(21-25)36-37-30(27)24-11-5-2-6-12-24;32-28-19-13-24(14-20-28)22-29(31(36)33-21-7-10-23-8-3-1-4-9-23)34-30(35)27-17-15-26(16-18-27)25-11-5-2-6-12-25;30-25-13-8-21(9-14-25)17-27(29(35)32-16-4-7-20-5-2-1-3-6-20)33-28(34)24-11-10-23-19-26(31)15-12-22(23)18-24;2*30-26-16-12-22(13-17-26)19-27(29(34)31-18-6-9-21-7-2-1-3-8-21)32-28(33)25-15-14-23-10-4-5-11-24(23)20-25/h1-6,8-9,11-18,21,29H,7,10,19-20H2,(H,34,39)(H,35,38)(H,36,37);1-6,8-9,11-20,29H,7,10,21-22H2,(H,33,36)(H,34,35);1-3,5-6,8-15,18-19,27H,4,7,16-17H2,(H,32,35)(H,33,34);2*1-5,7-8,10-17,20,27H,6,9,18-19H2,(H,31,34)(H,32,33)/t2*29-;2*27-;/m0001./s1
InChIKeyUERMFFDOFOQLHG-BGMJUMEESA-N
XLogP28.96
TPSA319.68 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds47
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002465.09
LogP ≤ 528.96
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
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N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55461044
N-[(2S)-1-(4-chlorophenyl)-3-oxo-7-pyridin-3-ylheptan-2-yl]-6-fluoronaphthalene-2-carboxamide
CID 158236548
N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide
CID 134943953
N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide
CID 155427764
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4001085
N-[1-[2-(4-fluorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55597798
4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 42695951
N-[(2S)-1-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 59402204
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide?
The IUPAC name of N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide (CID 163995921) is N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide?
The canonical SMILES for N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide is O=C(NC(Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2ccccc2c1.O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc(-c2ccccc2)cc1.O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2c(-c3ccccc3)n[nH]c2c1.O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2cc(F)ccc2c1.O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide?
The InChIKey is UERMFFDOFOQLHG-BGMJUMEESA-N. The full InChI is InChI=1S/C32H29ClN4O2.C31H29ClN2O2.C29H26ClFN2O2.2C29H27ClN2O2/c33-26-16-13-23(14-17-26)20-29(32(39)34-19-7-10-22-8-3-1-4-9-22)35-31(38)25-15-18-27-28(21-25)36-37-30(27)24-11-5-2-6-12-24;32-28-19-13-24(14-20-28)22-29(31(36)33-21-7-10-23-8-3-1-4-9-23)34-30(35)27-17-15-26(16-18-27)25-11-5-2-6-12-25;30-25-13-8-21(9-14-25)17-27(29(35)32-16-4-7-20-5-2-1-3-6-20)33-28(34)24-11-10-23-19-26(31)15-12-22(23)18-24;2*30-26-16-12-22(13-17-26)19-27(29(34)31-18-6-9-21-7-2-1-3-8-21)32-28(33)25-15-14-23-10-4-5-11-24(23)20-25/h1-6,8-9,11-18,21,29H,7,10,19-20H2,(H,34,39)(H,35,38)(H,36,37);1-6,8-9,11-20,29H,7,10,21-22H2,(H,33,36)(H,34,35);1-3,5-6,8-15,18-19,27H,4,7,16-17H2,(H,32,35)(H,33,34);2*1-5,7-8,10-17,20,27H,6,9,18-19H2,(H,31,34)(H,32,33)/t2*29-;2*27-;/m0001./s1.
What are the key properties of N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide?
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide has a molecular weight of 2465.09 g/mol, XLogP of 28.96, 47 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-6-fluoronaphthalene-2-carboxamide;N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]naphthalene-2-carboxamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-4-phenylbenzamide;N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-3-phenyl-1H-indazole-6-carboxamide is sourced from PubChem (CID 163995921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).