N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide

C14H10BrClN2O3 — CID 115931391

IUPACN-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide
SMILESCc1ccc(Br)c(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1
InChIInChI=1S/C14H10BrClN2O3/c1-8-5-6-10(15)11(7-8)17-14(19)9-3-2-4-12(13(9)16)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyCXGBIACOJDJANQ-UHFFFAOYSA-N
MW369.60 g/mol
LogP4.57
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide

N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide (PubChem CID 115931391) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide
PubChem CID115931391
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC NameN-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide
SMILESCc1ccc(Br)c(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1
InChIInChI=1S/C14H10BrClN2O3/c1-8-5-6-10(15)11(7-8)17-14(19)9-3-2-4-12(13(9)16)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyCXGBIACOJDJANQ-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 N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide 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-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide
CID 115931324
N-(2-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 103867045
N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzamide
CID 82756818
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967
2-chloro-N-[2-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115931017
N-(2-bromo-4-methylphenyl)-3-methyl-2-nitrobenzamide
CID 7929827
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
N-(4-bromo-2-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 17311397
3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide
CID 103979841
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-nitrobenzamide
CID 115930924
N-(2-bromo-5-fluorophenyl)-3-chloro-2-nitrobenzamide
CID 103753378

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide (CID 115931391) is N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide is Cc1ccc(Br)c(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide?
The InChIKey is CXGBIACOJDJANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c1-8-5-6-10(15)11(7-8)17-14(19)9-3-2-4-12(13(9)16)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide?
N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide 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 N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide is sourced from PubChem (CID 115931391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).