2-chloro-4-(2-nitrobenzoyl)benzamide

C14H9ClN2O4 — CID 102462059

IUPAC2-chloro-4-(2-nitrobenzoyl)benzamide
SMILESNC(=O)c1ccc(C(=O)c2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H9ClN2O4/c15-11-7-8(5-6-9(11)14(16)19)13(18)10-3-1-2-4-12(10)17(20)21/h1-7H,(H2,16,19)
InChIKeyWIGGAULPYVYKBI-UHFFFAOYSA-N
MW304.69 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-4-(2-nitrobenzoyl)benzamide

2-chloro-4-(2-nitrobenzoyl)benzamide (PubChem CID 102462059) has the molecular formula C14H9ClN2O4 and a molecular weight of 304.69 g/mol. Its IUPAC name is 2-chloro-4-(2-nitrobenzoyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(2-nitrobenzoyl)benzamide
PubChem CID102462059
Molecular FormulaC14H9ClN2O4
Molecular Weight304.69 g/mol
Exact Mass304.03
IUPAC Name2-chloro-4-(2-nitrobenzoyl)benzamide
SMILESNC(=O)c1ccc(C(=O)c2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H9ClN2O4/c15-11-7-8(5-6-9(11)14(16)19)13(18)10-3-1-2-4-12(10)17(20)21/h1-7H,(H2,16,19)
InChIKeyWIGGAULPYVYKBI-UHFFFAOYSA-N
XLogP2.58
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 52.58
H-Bond Donors ≤ 51
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-chloro-4-(2-nitrobenzoyl)benzamide 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

acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone
CID 70358542
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
(2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone
CID 15908933
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
CID 174848251
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
benzene;2-nitrobenzoic acid
CID 19891435
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
4,5-dichloro-2-nitrobenzamide
CID 69073651

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-nitrobenzoyl)benzamide?
The IUPAC name of 2-chloro-4-(2-nitrobenzoyl)benzamide (CID 102462059) is 2-chloro-4-(2-nitrobenzoyl)benzamide.
What is the SMILES notation for 2-chloro-4-(2-nitrobenzoyl)benzamide?
The canonical SMILES for 2-chloro-4-(2-nitrobenzoyl)benzamide is NC(=O)c1ccc(C(=O)c2ccccc2[N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-(2-nitrobenzoyl)benzamide?
The InChIKey is WIGGAULPYVYKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O4/c15-11-7-8(5-6-9(11)14(16)19)13(18)10-3-1-2-4-12(10)17(20)21/h1-7H,(H2,16,19).
What are the key properties of 2-chloro-4-(2-nitrobenzoyl)benzamide?
2-chloro-4-(2-nitrobenzoyl)benzamide has a molecular weight of 304.69 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-nitrobenzoyl)benzamide is sourced from PubChem (CID 102462059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).