N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide

C14H10ClFN2O3 — CID 26363954

IUPACN-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O3/c1-8-2-3-9(6-13(8)18(20)21)14(19)17-12-5-4-10(16)7-11(12)15/h2-7H,1H3,(H,17,19)
InChIKeyATQBCWDWWPZSPP-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.95
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide

N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide (PubChem CID 26363954) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
PubChem CID26363954
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O3/c1-8-2-3-9(6-13(8)18(20)21)14(19)17-12-5-4-10(16)7-11(12)15/h2-7H,1H3,(H,17,19)
InChIKeyATQBCWDWWPZSPP-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

N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
CID 28671342
4-bromo-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 8865660
5-chloro-2-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
CID 45433922
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone
CID 177201657
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
CID 4985989
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
CID 2668909
3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 103873201
N-(2-bromo-4-fluorophenyl)-3-chloro-4-nitrobenzamide
CID 82778464
2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576304

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide (CID 26363954) is N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide?
The InChIKey is ATQBCWDWWPZSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c1-8-2-3-9(6-13(8)18(20)21)14(19)17-12-5-4-10(16)7-11(12)15/h2-7H,1H3,(H,17,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide?
N-(2-chloro-4-fluorophenyl)-4-methyl-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 N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 26363954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).