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

C15H15FN2O — CID 62811033

IUPAC3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cccc(N)c2C)ccc1F
InChIInChI=1S/C15H15FN2O/c1-9-8-11(6-7-13(9)16)18-15(19)12-4-3-5-14(17)10(12)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyAFSDEMXTLDSEBB-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

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

3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide (PubChem CID 62811033) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
PubChem CID62811033
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cccc(N)c2C)ccc1F
InChIInChI=1S/C15H15FN2O/c1-9-8-11(6-7-13(9)16)18-15(19)12-4-3-5-14(17)10(12)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyAFSDEMXTLDSEBB-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-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
2-amino-N-(4-fluoro-3-methylphenyl)-5-hydroxybenzamide
CID 107075174
3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 150244858
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
5-amino-N-(4-fluoro-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 62811391

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide (CID 62811033) is 3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide is Cc1cc(NC(=O)c2cccc(N)c2C)ccc1F.
What is the InChIKey of 3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide?
The InChIKey is AFSDEMXTLDSEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-8-11(6-7-13(9)16)18-15(19)12-4-3-5-14(17)10(12)2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide?
3-amino-N-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 62811033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).