3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide

C15H15FN2O2 — CID 60861516

IUPAC3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(N)c(C)c(F)c2)cc1
InChIInChI=1S/C15H15FN2O2/c1-9-13(16)7-10(8-14(9)17)15(19)18-11-3-5-12(20-2)6-4-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyNWWYRVYEYHXWDB-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.98
Rot. Bonds3

About 3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide

3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide (PubChem CID 60861516) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide
PubChem CID60861516
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(N)c(C)c(F)c2)cc1
InChIInChI=1S/C15H15FN2O2/c1-9-13(16)7-10(8-14(9)17)15(19)18-11-3-5-12(20-2)6-4-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyNWWYRVYEYHXWDB-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

3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
CID 61092438
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60861685
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
4-amino-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 89028367
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
CID 63183667
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide
CID 61103547
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 116812510
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide (CID 60861516) is 3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide is COc1ccc(NC(=O)c2cc(N)c(C)c(F)c2)cc1.
What is the InChIKey of 3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide?
The InChIKey is NWWYRVYEYHXWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-13(16)7-10(8-14(9)17)15(19)18-11-3-5-12(20-2)6-4-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide?
3-amino-5-fluoro-N-(4-methoxyphenyl)-4-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 3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide is sourced from PubChem (CID 60861516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).