N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide

C13H18F2N2O — CID 106139692

IUPACN-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
SMILESCC(C)(CCN)CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-13(2,5-6-16)8-17-12(18)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,18)
InChIKeyDPDJBFOGAWRNCS-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.07
Rot. Bonds5

About N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide

N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide (PubChem CID 106139692) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
PubChem CID106139692
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
SMILESCC(C)(CCN)CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-13(2,5-6-16)8-17-12(18)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,18)
InChIKeyDPDJBFOGAWRNCS-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
CID 106144423
2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111479742
N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
CID 106140917
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
CID 106144546
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
CID 106139555
5-bromo-2-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772446
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 106140043
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide (CID 106139692) is N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide is CC(C)(CCN)CNC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide?
The InChIKey is DPDJBFOGAWRNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-13(2,5-6-16)8-17-12(18)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide?
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide is sourced from PubChem (CID 106139692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).