2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide

C14H10BrClN2O3 — CID 81003282

IUPAC2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C14H10BrClN2O3/c1-8-2-4-11(15)10(6-8)14(19)17-13-5-3-9(18(20)21)7-12(13)16/h2-7H,1H3,(H,17,19)
InChIKeyFULAAXRJYCFBMH-UHFFFAOYSA-N
MW369.60 g/mol
LogP4.57
Rot. Bonds3

About 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide

2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide (PubChem CID 81003282) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
PubChem CID81003282
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C14H10BrClN2O3/c1-8-2-4-11(15)10(6-8)14(19)17-13-5-3-9(18(20)21)7-12(13)16/h2-7H,1H3,(H,17,19)
InChIKeyFULAAXRJYCFBMH-UHFFFAOYSA-N
XLogP4.57
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 54.57
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'}

Analyze 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide 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-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764
2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 81110110
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide
CID 103817011
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide
CID 103910150
2-amino-4-bromo-N-(2-chloro-4-nitrophenyl)benzamide
CID 79704221
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 23853374
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide (CID 81003282) is 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide?
The InChIKey is FULAAXRJYCFBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c1-8-2-4-11(15)10(6-8)14(19)17-13-5-3-9(18(20)21)7-12(13)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide?
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide has a molecular weight of 369.60 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide is sourced from PubChem (CID 81003282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).