2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide

C15H15FN2O2 — CID 43380395

IUPAC2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2N)cc1F
InChIInChI=1S/C15H15FN2O2/c1-9-4-3-5-11(14(9)17)15(19)18-10-6-7-13(20-2)12(16)8-10/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyXAAQDYDOSFWVCR-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.98
Rot. Bonds3

About 2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide

2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide (PubChem CID 43380395) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
PubChem CID43380395
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2N)cc1F
InChIInChI=1S/C15H15FN2O2/c1-9-4-3-5-11(14(9)17)15(19)18-10-6-7-13(20-2)12(16)8-10/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyXAAQDYDOSFWVCR-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

2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 103853347
2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62156147
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
2-amino-N-(3-hydroxy-4-methylphenyl)-3-methylbenzamide
CID 107699257
4-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81242553
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
2-amino-N-(3,4-dicyanophenyl)-3-methylbenzamide
CID 107786827
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-5-methylbenzamide
CID 43381005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide (CID 43380395) is 2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide is COc1ccc(NC(=O)c2cccc(C)c2N)cc1F.
What is the InChIKey of 2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide?
The InChIKey is XAAQDYDOSFWVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-4-3-5-11(14(9)17)15(19)18-10-6-7-13(20-2)12(16)8-10/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide?
2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide 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 2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 43380395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).