4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide

C13H18F2N2O — CID 103464640

IUPAC4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-4-13(2,3)7-17-12(18)8-5-9(14)11(16)10(15)6-8/h5-6H,4,7,16H2,1-3H3,(H,17,18)
InChIKeySJIWSKQXUOMFGH-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.71
Rot. Bonds4

About 4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide

4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide (PubChem CID 103464640) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide
PubChem CID103464640
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-4-13(2,3)7-17-12(18)8-5-9(14)11(16)10(15)6-8/h5-6H,4,7,16H2,1-3H3,(H,17,18)
InChIKeySJIWSKQXUOMFGH-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.71
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

4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104765666
4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
CID 106331348
N-(4-amino-2,2-dimethylbutyl)-3,4,5-trifluorobenzamide
CID 106139619
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
N-[2-(chloromethyl)-2-ethylbutyl]-3,4,5-trifluorobenzamide
CID 106253344
3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465720
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464702
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930
4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide
CID 155067191
4-amino-3,5-difluoro-N-pentan-3-ylbenzamide
CID 63187133
2-amino-N-(2,2-dimethylbutyl)-5-fluoro-3-nitrobenzamide
CID 106548251

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide (CID 103464640) is 4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide is CCC(C)(C)CNC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide?
The InChIKey is SJIWSKQXUOMFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-4-13(2,3)7-17-12(18)8-5-9(14)11(16)10(15)6-8/h5-6H,4,7,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide?
4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide is sourced from PubChem (CID 103464640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).