(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate

C16H11Cl2N2O5- — CID 7310436

IUPAC(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate
SMILESO=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2O5/c17-11-4-1-9(2-5-11)13(8-15(21)22)19-16(23)10-3-6-12(18)14(7-10)20(24)25/h1-7,13H,8H2,(H,19,23)(H,21,22)/p-1/t13-/m1/s1
InChIKeyWICWWQJORHNLFZ-CYBMUJFWSA-M
MW382.18 g/mol
LogP2.51
Rot. Bonds6

About (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate

(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate (PubChem CID 7310436) has the molecular formula C16H11Cl2N2O5- and a molecular weight of 382.18 g/mol. Its IUPAC name is (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Name(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate
PubChem CID7310436
Molecular FormulaC16H11Cl2N2O5-
Molecular Weight382.18 g/mol
Exact Mass381.01
IUPAC Name(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate
SMILESO=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2O5/c17-11-4-1-9(2-5-11)13(8-15(21)22)19-16(23)10-3-6-12(18)14(7-10)20(24)25/h1-7,13H,8H2,(H,19,23)(H,21,22)/p-1/t13-/m1/s1
InChIKeyWICWWQJORHNLFZ-CYBMUJFWSA-M
XLogP2.51
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoic acid
CID 3985638
3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 5006095
(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7300620
3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 3919338
(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-3-nitrobenzamide
CID 99995187
4-chloro-N-[1-(3,4-dimethylphenyl)propyl]-3-nitrobenzamide
CID 132652762
3-(4-chlorophenyl)-3-[(3,4-diethoxybenzoyl)amino]propanoate
CID 3434249
(3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7310726
(3S)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7310727
(3S)-3-(4-tert-butylphenyl)-3-[(3,4-dichlorobenzoyl)amino]propanoate
CID 7310435
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-nitrobenzamide
CID 79248861

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate?
The IUPAC name of (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate (CID 7310436) is (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate?
The canonical SMILES for (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate is O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate?
The InChIKey is WICWWQJORHNLFZ-CYBMUJFWSA-M. The full InChI is InChI=1S/C16H12Cl2N2O5/c17-11-4-1-9(2-5-11)13(8-15(21)22)19-16(23)10-3-6-12(18)14(7-10)20(24)25/h1-7,13H,8H2,(H,19,23)(H,21,22)/p-1/t13-/m1/s1.
What are the key properties of (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate?
(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate has a molecular weight of 382.18 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 7310436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).