2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide

C16H16ClN3O3 — CID 9307115

IUPAC2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O3/c1-11(14-4-2-3-5-15(14)17)18-10-16(21)19-12-6-8-13(9-7-12)20(22)23/h2-9,11,18H,10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyNXDZATVRPYXQKB-LLVKDONJSA-N
MW333.78 g/mol
LogP3.54
Rot. Bonds6

About 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide (PubChem CID 9307115) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide
PubChem CID9307115
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O3/c1-11(14-4-2-3-5-15(14)17)18-10-16(21)19-12-6-8-13(9-7-12)20(22)23/h2-9,11,18H,10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyNXDZATVRPYXQKB-LLVKDONJSA-N
XLogP3.54
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide 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

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9397574
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 9307130
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8710365
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9307246
N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 18085927
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide (CID 9307115) is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide is C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl.
What is the InChIKey of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide?
The InChIKey is NXDZATVRPYXQKB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-11(14-4-2-3-5-15(14)17)18-10-16(21)19-12-6-8-13(9-7-12)20(22)23/h2-9,11,18H,10H2,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide?
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide has a molecular weight of 333.78 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9307115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).