(3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate

C16H12ClN2O5- — CID 7310726

IUPAC(3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
SMILESO=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H13ClN2O5/c17-12-5-1-4-11(7-12)16(22)18-14(9-15(20)21)10-3-2-6-13(8-10)19(23)24/h1-8,14H,9H2,(H,18,22)(H,20,21)/p-1/t14-/m1/s1
InChIKeyYZGZAOHBRUIXSO-CQSZACIVSA-M
MW347.73 g/mol
LogP1.86
Rot. Bonds6

About (3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate

(3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate (PubChem CID 7310726) has the molecular formula C16H12ClN2O5- and a molecular weight of 347.73 g/mol. Its IUPAC name is (3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate.

Molecular Properties

Compound Name(3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
PubChem CID7310726
Molecular FormulaC16H12ClN2O5-
Molecular Weight347.73 g/mol
Exact Mass347.04
IUPAC Name(3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
SMILESO=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H13ClN2O5/c17-12-5-1-4-11(7-12)16(22)18-14(9-15(20)21)10-3-2-6-13(8-10)19(23)24/h1-8,14H,9H2,(H,18,22)(H,20,21)/p-1/t14-/m1/s1
InChIKeyYZGZAOHBRUIXSO-CQSZACIVSA-M
XLogP1.86
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 51.86
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-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)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

(3S)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7310727
(3S)-3-[(2,6-dichlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7300595
(3R)-3-(3-nitrophenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6925532
(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 7310436
methyl (3R)-3-[(3-nitrobenzoyl)amino]-3-phenylpropanoate
CID 40856388
3-nitro-N-[[(3-nitrobenzoyl)amino]-(3-nitrophenyl)methyl]benzamide
CID 3606641
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 9164655
(3S)-3-[(3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044662
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
N-[1-(3-chlorophenyl)ethyl]-3,5-dinitrobenzamide
CID 78773557
4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
CID 11392415
N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 18712222

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate?
The IUPAC name of (3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate (CID 7310726) is (3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate.
What is the SMILES notation for (3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate?
The canonical SMILES for (3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate is O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate?
The InChIKey is YZGZAOHBRUIXSO-CQSZACIVSA-M. The full InChI is InChI=1S/C16H13ClN2O5/c17-12-5-1-4-11(7-12)16(22)18-14(9-15(20)21)10-3-2-6-13(8-10)19(23)24/h1-8,14H,9H2,(H,18,22)(H,20,21)/p-1/t14-/m1/s1.
What are the key properties of (3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate?
(3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate has a molecular weight of 347.73 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate is sourced from PubChem (CID 7310726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).