N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide

C15H12ClFN2O3 — CID 55772117

IUPACN-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(F)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12ClFN2O3/c1-8-11(16)4-3-5-13(8)18-15(20)10-6-12(17)9(2)14(7-10)19(21)22/h3-7H,1-2H3,(H,18,20)
InChIKeyBOZFYXATZYIMHQ-UHFFFAOYSA-N
MW322.72 g/mol
LogP4.26
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide

N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide (PubChem CID 55772117) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide
PubChem CID55772117
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC NameN-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(F)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12ClFN2O3/c1-8-11(16)4-3-5-13(8)18-15(20)10-6-12(17)9(2)14(7-10)19(21)22/h3-7H,1-2H3,(H,18,20)
InChIKeyBOZFYXATZYIMHQ-UHFFFAOYSA-N
XLogP4.26
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 54.26
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-(3-bromophenyl)-3-fluoro-4-methyl-5-nitrobenzamide
CID 46487800
4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
CID 60628960
N-(4-chloro-2-methylphenyl)-4-methyl-3,5-dinitrobenzamide
CID 19174941
4-chloro-N-[(3-chloro-2-methylphenyl)carbamothioyl]-3-nitrobenzamide
CID 5153818
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
CID 43215262
N-(3-chloro-2-methylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263836
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
CID 51145763
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide
CID 19174875

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide (CID 55772117) is N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide is Cc1c(Cl)cccc1NC(=O)c1cc(F)c(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide?
The InChIKey is BOZFYXATZYIMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c1-8-11(16)4-3-5-13(8)18-15(20)10-6-12(17)9(2)14(7-10)19(21)22/h3-7H,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide?
N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide has a molecular weight of 322.72 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide is sourced from PubChem (CID 55772117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).