4-chloro-N-nitroso-N-phenylbenzamide

C13H9ClN2O2 — CID 134880089

IUPAC4-chloro-N-nitroso-N-phenylbenzamide
SMILESO=NN(C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H9ClN2O2/c14-11-8-6-10(7-9-11)13(17)16(15-18)12-4-2-1-3-5-12/h1-9H
InChIKeyIVFIFAFVTKPLQK-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.67
Rot. Bonds3

About 4-chloro-N-nitroso-N-phenylbenzamide

4-chloro-N-nitroso-N-phenylbenzamide (PubChem CID 134880089) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-chloro-N-nitroso-N-phenylbenzamide.

Molecular Properties

Compound Name4-chloro-N-nitroso-N-phenylbenzamide
PubChem CID134880089
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name4-chloro-N-nitroso-N-phenylbenzamide
SMILESO=NN(C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H9ClN2O2/c14-11-8-6-10(7-9-11)13(17)16(15-18)12-4-2-1-3-5-12/h1-9H
InChIKeyIVFIFAFVTKPLQK-UHFFFAOYSA-N
XLogP3.67
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-nitroso-N-phenylbenzamide 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

N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-(4-chlorophenyl)-N-hydroxybenzamide
CID 15217
N-but-3-en-2-yl-4-chloro-N-phenylbenzamide
CID 175533632
2-(4-chlorophenyl)-N-methyl-2-oxo-N-phenylacetamide
CID 13109495
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
N-amino-N-anilino-4-chlorobenzamide;hydrochloride
CID 173408767
(4-chlorobenzoyl)carbamoyl-phenylcarbamic acid
CID 57361745
N-[(Z)-ethylideneamino]-4-methyl-N-phenylbenzamide
CID 23275030
4-chloro(13C)benzoic acid
CID 66995527
2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid
CID 12039666
N,N'-diacetyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 3820065
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-nitroso-N-phenylbenzamide?
The IUPAC name of 4-chloro-N-nitroso-N-phenylbenzamide (CID 134880089) is 4-chloro-N-nitroso-N-phenylbenzamide.
What is the SMILES notation for 4-chloro-N-nitroso-N-phenylbenzamide?
The canonical SMILES for 4-chloro-N-nitroso-N-phenylbenzamide is O=NN(C(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-nitroso-N-phenylbenzamide?
The InChIKey is IVFIFAFVTKPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-11-8-6-10(7-9-11)13(17)16(15-18)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 4-chloro-N-nitroso-N-phenylbenzamide?
4-chloro-N-nitroso-N-phenylbenzamide has a molecular weight of 260.68 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-nitroso-N-phenylbenzamide is sourced from PubChem (CID 134880089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).