2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide

C14H12F2N2O — CID 82090708

IUPAC2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N)c1c(F)cccc1F
InChIInChI=1S/C14H12F2N2O/c1-18(13-10(15)6-4-7-11(13)16)14(19)9-5-2-3-8-12(9)17/h2-8H,17H2,1H3
InChIKeyNJOFVQAAGHUZSD-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.82
Rot. Bonds2

About 2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide

2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide (PubChem CID 82090708) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
PubChem CID82090708
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N)c1c(F)cccc1F
InChIInChI=1S/C14H12F2N2O/c1-18(13-10(15)6-4-7-11(13)16)14(19)9-5-2-3-8-12(9)17/h2-8H,17H2,1H3
InChIKeyNJOFVQAAGHUZSD-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 140987433
N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide
CID 91650502
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 123904260
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
3-amino-2-(2-fluoro-N-methylanilino)benzamide
CID 112578744
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
2-amino-N-(2,6-difluorophenyl)-N-methylacetamide
CID 28794668
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
5-amino-2-bromo-4-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 62815620
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide?
The IUPAC name of 2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide (CID 82090708) is 2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide is CN(C(=O)c1ccccc1N)c1c(F)cccc1F.
What is the InChIKey of 2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide?
The InChIKey is NJOFVQAAGHUZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-18(13-10(15)6-4-7-11(13)16)14(19)9-5-2-3-8-12(9)17/h2-8H,17H2,1H3.
What are the key properties of 2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide?
2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide has a molecular weight of 262.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 82090708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).