4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide

C15H15FN2O2 — CID 104782299

IUPAC4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)cc2C)ccc1N
InChIInChI=1S/C15H15FN2O2/c1-9-7-11(16)4-6-13(9)18-15(19)10-3-5-12(17)14(8-10)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyNBQZOUISZPXMHE-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.98
Rot. Bonds3

About 4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide

4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide (PubChem CID 104782299) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
PubChem CID104782299
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)cc2C)ccc1N
InChIInChI=1S/C15H15FN2O2/c1-9-7-11(16)4-6-13(9)18-15(19)10-3-5-12(17)14(8-10)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyNBQZOUISZPXMHE-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide
CID 104782496
N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide
CID 8639946
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 104782317
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
3-amino-N-(4-hydroxy-2-methylphenyl)-4-methoxybenzamide
CID 110468878
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(4-fluoro-2-methylphenyl)-3,4-dimethoxy-5-[(Z)-prop-1-enyl]benzamide
CID 97432010
N-(4-fluoro-2-methylphenyl)-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 24529374
4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 104782866

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide (CID 104782299) is 4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(F)cc2C)ccc1N.
What is the InChIKey of 4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide?
The InChIKey is NBQZOUISZPXMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-7-11(16)4-6-13(9)18-15(19)10-3-5-12(17)14(8-10)20-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide?
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 104782299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).