2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide

C14H10ClFN2O3 — CID 26576304

IUPAC2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O3/c1-8-2-4-10(7-13(8)18(20)21)17-14(19)11-5-3-9(16)6-12(11)15/h2-7H,1H3,(H,17,19)
InChIKeyBJCFVJPNLNFDCE-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.95
Rot. Bonds3

About 2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide

2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide (PubChem CID 26576304) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
PubChem CID26576304
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O3/c1-8-2-4-10(7-13(8)18(20)21)17-14(19)11-5-3-9(16)6-12(11)15/h2-7H,1H3,(H,17,19)
InChIKeyBJCFVJPNLNFDCE-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'}

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Related Compounds

2-amino-N-(4-chloro-3-nitrophenyl)-4-fluorobenzamide
CID 63110248
N-(4-bromo-3-nitrophenyl)-4-fluoro-2-methylbenzamide
CID 115883996
4-amino-2-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 107793705
N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
CID 82865747
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 43785537
3-chloro-N-(3-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 66484722
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone
CID 177201657

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide (CID 26576304) is 2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide is Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide?
The InChIKey is BJCFVJPNLNFDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c1-8-2-4-10(7-13(8)18(20)21)17-14(19)11-5-3-9(16)6-12(11)15/h2-7H,1H3,(H,17,19).
What are the key properties of 2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide?
2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide 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-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 26576304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).