N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide

C14H11FN2O3 — CID 26522920

IUPACN-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H11FN2O3/c1-9-6-7-12(11(15)8-9)16-14(18)10-4-2-3-5-13(10)17(19)20/h2-8H,1H3,(H,16,18)
InChIKeyBUDZSLUUKAZMJY-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.29
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide

N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide (PubChem CID 26522920) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
PubChem CID26522920
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H11FN2O3/c1-9-6-7-12(11(15)8-9)16-14(18)10-4-2-3-5-13(10)17(19)20/h2-8H,1H3,(H,16,18)
InChIKeyBUDZSLUUKAZMJY-UHFFFAOYSA-N
XLogP3.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.29
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-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide
CID 103875064
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
N-(4-methyl-2-nitrophenyl)-2-methylsulfanylbenzamide
CID 8795558
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 64793485
3-amino-N-(2-fluoro-4-methylphenyl)-4-nitrobenzamide
CID 62682826
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
CID 103145312
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003
5-amino-N-(2-fluoro-5-methylphenyl)-2-nitrobenzamide
CID 62156286

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide (CID 26522920) is N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide is Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide?
The InChIKey is BUDZSLUUKAZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-9-6-7-12(11(15)8-9)16-14(18)10-4-2-3-5-13(10)17(19)20/h2-8H,1H3,(H,16,18).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide?
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide has a molecular weight of 274.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 26522920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).