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

C14H12F2N2O — CID 81315195

IUPACN-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2c(N)cccc2F)ccc1F
InChIInChI=1S/C14H12F2N2O/c1-8-7-9(5-6-10(8)15)14(19)18-13-11(16)3-2-4-12(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyUSPQBRHVBGAVJE-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.11
Rot. Bonds2

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

N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide (PubChem CID 81315195) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
PubChem CID81315195
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC NameN-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2c(N)cccc2F)ccc1F
InChIInChI=1S/C14H12F2N2O/c1-8-7-9(5-6-10(8)15)14(19)18-13-11(16)3-2-4-12(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyUSPQBRHVBGAVJE-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)-3-fluoro-4-methylbenzamide
CID 81315291
N-(2,6-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956615
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761
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-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
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)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide (CID 81315195) is N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)Nc2c(N)cccc2F)ccc1F.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide?
The InChIKey is USPQBRHVBGAVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8-7-9(5-6-10(8)15)14(19)18-13-11(16)3-2-4-12(13)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide?
N-(2-amino-6-fluorophenyl)-4-fluoro-3-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)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 81315195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).