5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide

C15H15FN2O — CID 61291909

IUPAC5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(N)ccc2C)cc1F
InChIInChI=1S/C15H15FN2O/c1-9-3-5-11(17)7-13(9)15(19)18-12-6-4-10(2)14(16)8-12/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyMQWDMZZQEFERIG-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

About 5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide

5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide (PubChem CID 61291909) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
PubChem CID61291909
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(N)ccc2C)cc1F
InChIInChI=1S/C15H15FN2O/c1-9-3-5-11(17)7-13(9)15(19)18-12-6-4-10(2)14(16)8-12/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyMQWDMZZQEFERIG-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

5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54914178
5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 61090590
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641249
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 120631954
5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
CID 107594566
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide (CID 61291909) is 5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide is Cc1ccc(NC(=O)c2cc(N)ccc2C)cc1F.
What is the InChIKey of 5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide?
The InChIKey is MQWDMZZQEFERIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-3-5-11(17)7-13(9)15(19)18-12-6-4-10(2)14(16)8-12/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide?
5-amino-N-(3-fluoro-4-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 5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 61291909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).