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

C14H10ClFN2O3 — CID 115931324

IUPAC2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide
SMILESCc1cc(F)cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1
InChIInChI=1S/C14H10ClFN2O3/c1-8-5-9(16)7-10(6-8)17-14(19)11-3-2-4-12(13(11)15)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyRWPWMWXBZMQLQS-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.95
Rot. Bonds3

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

2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide (PubChem CID 115931324) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide
PubChem CID115931324
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide
SMILESCc1cc(F)cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1
InChIInChI=1S/C14H10ClFN2O3/c1-8-5-9(16)7-10(6-8)17-14(19)11-3-2-4-12(13(11)15)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyRWPWMWXBZMQLQS-UHFFFAOYSA-N
XLogP3.95
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 53.95
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-chloro-N-(3-fluoro-5-methylphenyl)-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-(3,4-difluorophenyl)-3-nitrobenzamide
CID 115930795
2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide
CID 115931391
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
2-chloro-N-(3-fluoro-5-methylphenyl)-4-nitrobenzamide
CID 79044512
2,3-difluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055067
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
CID 103774980
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide (CID 115931324) is 2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide is Cc1cc(F)cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide?
The InChIKey is RWPWMWXBZMQLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c1-8-5-9(16)7-10(6-8)17-14(19)11-3-2-4-12(13(11)15)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide?
2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide has a molecular weight of 308.70 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 115931324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).