2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide

C27H29ClN2O2 — CID 132612672

IUPAC2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C27H29ClN2O2/c1-2-29-27(32)25(19-21-11-5-3-6-12-21)30(20-22-13-7-4-8-14-22)26(31)18-17-23-15-9-10-16-24(23)28/h3-16,25H,2,17-20H2,1H3,(H,29,32)
InChIKeyQNLAQRZQXRTUGY-UHFFFAOYSA-N
MW448.99 g/mol
LogP5.05
Rot. Bonds10

About 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide

2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide (PubChem CID 132612672) has the molecular formula C27H29ClN2O2 and a molecular weight of 448.99 g/mol. Its IUPAC name is 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide
PubChem CID132612672
Molecular FormulaC27H29ClN2O2
Molecular Weight448.99 g/mol
Exact Mass448.19
IUPAC Name2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C27H29ClN2O2/c1-2-29-27(32)25(19-21-11-5-3-6-12-21)30(20-22-13-7-4-8-14-22)26(31)18-17-23-15-9-10-16-24(23)28/h3-16,25H,2,17-20H2,1H3,(H,29,32)
InChIKeyQNLAQRZQXRTUGY-UHFFFAOYSA-N
XLogP5.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.99
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741353
2-[(4-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-3-phenyl-N-propylpropanamide
CID 132618944
2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-3-phenyl-N-propylpropanamide
CID 132618943
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide
CID 100542315
2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132661437
(2R)-N-butyl-2-[3-(2-chlorophenyl)propanoyl-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 100696634
N-butyl-2-[3-(2-chlorophenyl)propanoyl-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133153363
2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171831
(2R)-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100516926
N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132611138
N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-3-phenylpropanamide
CID 133148369

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide?
The IUPAC name of 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide (CID 132612672) is 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl.
What is the InChIKey of 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide?
The InChIKey is QNLAQRZQXRTUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2/c1-2-29-27(32)25(19-21-11-5-3-6-12-21)30(20-22-13-7-4-8-14-22)26(31)18-17-23-15-9-10-16-24(23)28/h3-16,25H,2,17-20H2,1H3,(H,29,32).
What are the key properties of 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide?
2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide has a molecular weight of 448.99 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 132612672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).