3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide

C15H15FN2O — CID 79048317

IUPAC3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
SMILESCc1cc(F)cc(NC(=O)c2cccc(N)c2C)c1
InChIInChI=1S/C15H15FN2O/c1-9-6-11(16)8-12(7-9)18-15(19)13-4-3-5-14(17)10(13)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyNHEBYTYFEAPEKP-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

About 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide

3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide (PubChem CID 79048317) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
PubChem CID79048317
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
SMILESCc1cc(F)cc(NC(=O)c2cccc(N)c2C)c1
InChIInChI=1S/C15H15FN2O/c1-9-6-11(16)8-12(7-9)18-15(19)13-4-3-5-14(17)10(13)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyNHEBYTYFEAPEKP-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055067
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide
CID 107333857
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 79041127
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79048624
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide (CID 79048317) is 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide is Cc1cc(F)cc(NC(=O)c2cccc(N)c2C)c1.
What is the InChIKey of 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide?
The InChIKey is NHEBYTYFEAPEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-6-11(16)8-12(7-9)18-15(19)13-4-3-5-14(17)10(13)2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide?
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide has a molecular weight of 258.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 79048317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).