4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide

C15H15FN2O — CID 55103404

IUPAC4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H15FN2O/c1-9-4-3-5-10(2)14(9)18-15(19)11-6-7-13(17)12(16)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyNISXLWAMPBEALE-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

About 4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide

4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide (PubChem CID 55103404) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
PubChem CID55103404
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H15FN2O/c1-9-4-3-5-10(2)14(9)18-15(19)11-6-7-13(17)12(16)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyNISXLWAMPBEALE-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

4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 81315291
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
N-(3-acetamidophenyl)-4-amino-3-fluorobenzamide
CID 62679268
N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
CID 81314531
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 63188157
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
4-amino-N-(4-carbamoyl-2-methylphenyl)-3-fluorobenzamide
CID 63188246

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide (CID 55103404) is 4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide is Cc1cccc(C)c1NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide?
The InChIKey is NISXLWAMPBEALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-4-3-5-10(2)14(9)18-15(19)11-6-7-13(17)12(16)8-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide?
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide 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 4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 55103404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).