3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide

C15H13FN2O4 — CID 46615926

IUPAC3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H13FN2O4/c1-9-3-4-10(7-12(9)16)15(19)17-13-8-11(18(20)21)5-6-14(13)22-2/h3-8H,1-2H3,(H,17,19)
InChIKeyFCOKNHPHAZVVOJ-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.30
Rot. Bonds4

About 3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide

3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide (PubChem CID 46615926) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
PubChem CID46615926
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H13FN2O4/c1-9-3-4-10(7-12(9)16)15(19)17-13-8-11(18(20)21)5-6-14(13)22-2/h3-8H,1-2H3,(H,17,19)
InChIKeyFCOKNHPHAZVVOJ-UHFFFAOYSA-N
XLogP3.30
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 122144447
3-bromo-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-4-methylbenzamide
CID 3373236
3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
CID 46323189
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide (CID 46615926) is 3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide?
The InChIKey is FCOKNHPHAZVVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-9-3-4-10(7-12(9)16)15(19)17-13-8-11(18(20)21)5-6-14(13)22-2/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide?
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide has a molecular weight of 304.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide is sourced from PubChem (CID 46615926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).