N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide

C12H16F2N2O — CID 119496872

IUPACN-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
SMILESCC(N)CCNC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C12H16F2N2O/c1-9(15)7-8-16-11(17)12(13,14)10-5-3-2-4-6-10/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeyJCYAITGOSCXLBT-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.63
Rot. Bonds5

About N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide

N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide (PubChem CID 119496872) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
PubChem CID119496872
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
SMILESCC(N)CCNC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C12H16F2N2O/c1-9(15)7-8-16-11(17)12(13,14)10-5-3-2-4-6-10/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeyJCYAITGOSCXLBT-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879
3-[(2,2-difluoro-2-phenylacetyl)amino]-2-methylpropanoic acid
CID 119237323
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
N-(2-amino-2-ethylbutyl)-2,2-difluoro-2-phenylacetamide;hydrochloride
CID 119641466
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
(2R)-2-[(2,2-difluoro-2-phenylacetyl)amino]-3-methylbutanoic acid
CID 119369647
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929
ethane;N-ethyl-2,2-difluoro-2-phenylacetamide;2-fluoro-2-phenylacetamide;molecular hydrogen
CID 165408243

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide?
The IUPAC name of N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide (CID 119496872) is N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide.
What is the SMILES notation for N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide?
The canonical SMILES for N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide is CC(N)CCNC(=O)C(F)(F)c1ccccc1.
What is the InChIKey of N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide?
The InChIKey is JCYAITGOSCXLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-9(15)7-8-16-11(17)12(13,14)10-5-3-2-4-6-10/h2-6,9H,7-8,15H2,1H3,(H,16,17).
What are the key properties of N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide?
N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide has a molecular weight of 242.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide is sourced from PubChem (CID 119496872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).