N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide

C13H18F2N2O — CID 81483936

IUPACN-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-3-13(16,4-2)8-17-12(18)10-6-5-9(14)7-11(10)15/h5-7H,3-4,8,16H2,1-2H3,(H,17,18)
InChIKeyBAUNEDJKJZLOTM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.21
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide

N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide (PubChem CID 81483936) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
PubChem CID81483936
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-3-13(16,4-2)8-17-12(18)10-6-5-9(14)7-11(10)15/h5-7H,3-4,8,16H2,1-2H3,(H,17,18)
InChIKeyBAUNEDJKJZLOTM-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
CID 106255574
N-(2-amino-2-ethylbutyl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119642420
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119641458
N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 119641077
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 119643636
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide
CID 65108644
N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
CID 81484738
2-amino-1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 116590314
N-(2-aminopentyl)-2,4-difluorobenzamide
CID 115737778
N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide
CID 119640655
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119639746

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide (CID 81483936) is N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide is CCC(N)(CC)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide?
The InChIKey is BAUNEDJKJZLOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-13(16,4-2)8-17-12(18)10-6-5-9(14)7-11(10)15/h5-7H,3-4,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide?
N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide is sourced from PubChem (CID 81483936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).