2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide

C15H15FN2O2 — CID 114836825

IUPAC2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide
SMILESCOc1cc(NC(=O)c2c(C)cccc2N)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-9-4-3-5-12(17)14(9)15(19)18-10-6-7-11(16)13(8-10)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyYQKQIFAWGLIFER-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.98
Rot. Bonds3

About 2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide

2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide (PubChem CID 114836825) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide
PubChem CID114836825
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide
SMILESCOc1cc(NC(=O)c2c(C)cccc2N)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-9-4-3-5-12(17)14(9)15(19)18-10-6-7-11(16)13(8-10)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyYQKQIFAWGLIFER-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-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 43380395
N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
2-fluoro-6-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 104917008
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836836
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide (CID 114836825) is 2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide is COc1cc(NC(=O)c2c(C)cccc2N)ccc1F.
What is the InChIKey of 2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide?
The InChIKey is YQKQIFAWGLIFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-4-3-5-12(17)14(9)15(19)18-10-6-7-11(16)13(8-10)20-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide?
2-amino-N-(4-fluoro-3-methoxyphenyl)-6-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-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide is sourced from PubChem (CID 114836825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).