N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide

C14H12F2N2O — CID 81315291

IUPACN-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(N)cccc2F)cc1F
InChIInChI=1S/C14H12F2N2O/c1-8-5-6-9(7-11(8)16)14(19)18-13-10(15)3-2-4-12(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyGYFVCGLBSFDYPQ-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.11
Rot. Bonds2

About N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide

N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide (PubChem CID 81315291) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
PubChem CID81315291
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC NameN-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(N)cccc2F)cc1F
InChIInChI=1S/C14H12F2N2O/c1-8-5-6-9(7-11(8)16)14(19)18-13-10(15)3-2-4-12(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyGYFVCGLBSFDYPQ-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.11
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

N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
CID 81314531
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
CID 43550039
N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 81314550
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide
CID 81313700
N-(2,6-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956615
N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methylbenzamide
CID 16771232
N-(2-amino-6-fluorophenyl)-3-bromo-5-fluorobenzamide
CID 81313883

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide (CID 81315291) is N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(N)cccc2F)cc1F.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide?
The InChIKey is GYFVCGLBSFDYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8-5-6-9(7-11(8)16)14(19)18-13-10(15)3-2-4-12(13)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide?
N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide has a molecular weight of 262.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 81315291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).