N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide

C15H13FN2O3 — CID 103145312

IUPACN-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C15H13FN2O3/c1-9-8-14(18(20)21)10(2)7-13(9)17-15(19)11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,17,19)
InChIKeyVZSKQSSATDSSDF-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.60
Rot. Bonds3

About N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide

N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide (PubChem CID 103145312) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
PubChem CID103145312
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC NameN-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C15H13FN2O3/c1-9-8-14(18(20)21)10(2)7-13(9)17-15(19)11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,17,19)
InChIKeyVZSKQSSATDSSDF-UHFFFAOYSA-N
XLogP3.60
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.60
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-(5-chloro-2-methyl-4-nitrophenyl)-2-fluorobenzamide;N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 158719874
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide
CID 78965091
2-fluoro-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 4950441
4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 103145399
2-fluoro-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 16765362
2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 62660947
2-fluoro-N-[(2-methyl-5-morpholin-4-yl-4-nitrophenyl)carbamothioyl]benzamide
CID 2906051
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide?
The IUPAC name of N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide (CID 103145312) is N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide?
The canonical SMILES for N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide is Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide?
The InChIKey is VZSKQSSATDSSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-8-14(18(20)21)10(2)7-13(9)17-15(19)11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide?
N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide has a molecular weight of 288.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide is sourced from PubChem (CID 103145312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).