N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide

C16H15ClN2O3 — CID 2943745

IUPACN-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15ClN2O3/c1-11(12-6-8-14(9-7-12)19(21)22)16(20)18-10-13-4-2-3-5-15(13)17/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyOSYQPVDUWMHJSU-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.67
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide

N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide (PubChem CID 2943745) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
PubChem CID2943745
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15ClN2O3/c1-11(12-6-8-14(9-7-12)19(21)22)16(20)18-10-13-4-2-3-5-15(13)17/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyOSYQPVDUWMHJSU-UHFFFAOYSA-N
XLogP3.67
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 966357
(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147
2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 2943822
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 894490
1-[(2-chlorophenyl)methyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111174467
N-[(2-chlorophenyl)methyl]-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699366
N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
CID 38898126
N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588915
N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 9209754
2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702472
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
CID 966380
N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine
CID 43519911

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide (CID 2943745) is N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide is CC(C(=O)NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide?
The InChIKey is OSYQPVDUWMHJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-11(12-6-8-14(9-7-12)19(21)22)16(20)18-10-13-4-2-3-5-15(13)17/h2-9,11H,10H2,1H3,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide?
N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide has a molecular weight of 318.76 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2943745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).