N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide

C12H16F2N2O — CID 115365588

IUPACN-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
SMILESCC(C)(CN)CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H16F2N2O/c1-12(2,6-15)7-16-11(17)8-4-3-5-9(13)10(8)14/h3-5H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyWEGGEMOEPBRATE-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.68
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide

N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide (PubChem CID 115365588) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
PubChem CID115365588
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
SMILESCC(C)(CN)CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H16F2N2O/c1-12(2,6-15)7-16-11(17)8-4-3-5-9(13)10(8)14/h3-5H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyWEGGEMOEPBRATE-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550157
N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide
CID 62660764
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
N-(3-bromo-2,2-dimethylpropyl)-2,3,4-trifluorobenzamide
CID 115364841
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 115360486
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
N-[3-(aminomethyl)pentan-3-yl]-2,3-difluorobenzamide
CID 63767818

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide (CID 115365588) is N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide is CC(C)(CN)CNC(=O)c1cccc(F)c1F.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide?
The InChIKey is WEGGEMOEPBRATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-12(2,6-15)7-16-11(17)8-4-3-5-9(13)10(8)14/h3-5H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide?
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide has a molecular weight of 242.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide is sourced from PubChem (CID 115365588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).