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

C15H14F2N2O — CID 24691936

IUPACN-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
SMILESCc1ccc(N)c(C)c1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2O/c1-8-3-6-13(18)9(2)14(8)19-15(20)10-4-5-11(16)12(17)7-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyQHOIIHZJTRPKNT-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.42
Rot. Bonds2

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

N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide (PubChem CID 24691936) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
PubChem CID24691936
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
SMILESCc1ccc(N)c(C)c1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2O/c1-8-3-6-13(18)9(2)14(8)19-15(20)10-4-5-11(16)12(17)7-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyQHOIIHZJTRPKNT-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.42
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-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide
CID 106752359
N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737127
N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 81315291
N-(3-amino-2,6-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 24705702
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methylbenzamide
CID 16771232
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
CID 81314531
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
CID 43550039
3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838373
N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
CID 104669075

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide (CID 24691936) is N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide is Cc1ccc(N)c(C)c1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide?
The InChIKey is QHOIIHZJTRPKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-8-3-6-13(18)9(2)14(8)19-15(20)10-4-5-11(16)12(17)7-10/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide?
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide has a molecular weight of 276.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide is sourced from PubChem (CID 24691936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).