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

C15H13FN2O4 — CID 134044498

IUPACN-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1C
InChIInChI=1S/C15H13FN2O4/c1-9-3-4-10(7-14(9)22-2)15(19)17-13-8-11(18(20)21)5-6-12(13)16/h3-8H,1-2H3,(H,17,19)
InChIKeyLKAPEEGKLBXYFF-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.30
Rot. Bonds4

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

N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide (PubChem CID 134044498) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
PubChem CID134044498
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC NameN-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1C
InChIInChI=1S/C15H13FN2O4/c1-9-3-4-10(7-14(9)22-2)15(19)17-13-8-11(18(20)21)5-6-12(13)16/h3-8H,1-2H3,(H,17,19)
InChIKeyLKAPEEGKLBXYFF-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-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide
CID 78788740
4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 122144447
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
3-bromo-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 107951971
3-bromo-4-butoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 4955751
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 26576594

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide (CID 134044498) is N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1C.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide?
The InChIKey is LKAPEEGKLBXYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-9-3-4-10(7-14(9)22-2)15(19)17-13-8-11(18(20)21)5-6-12(13)16/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide?
N-(2-fluoro-5-nitrophenyl)-3-methoxy-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 N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 134044498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).