N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide

C16H20F2N2O2 — CID 119478251

IUPACN-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide
SMILESNC1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c17-10-1-6-13(14(18)9-10)15(21)7-8-16(22)20-12-4-2-11(19)3-5-12/h1,6,9,11-12H,2-5,7-8,19H2,(H,20,22)
InChIKeyYBVCVQHXTJTSDL-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.31
Rot. Bonds5

About N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide

N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide (PubChem CID 119478251) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide
PubChem CID119478251
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC NameN-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide
SMILESNC1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c17-10-1-6-13(14(18)9-10)15(21)7-8-16(22)20-12-4-2-11(19)3-5-12/h1,6,9,11-12H,2-5,7-8,19H2,(H,20,22)
InChIKeyYBVCVQHXTJTSDL-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide
CID 162657821
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide
CID 115272912
2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62029010
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
N-(4-aminocyclohexyl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119475380
N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119524438
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119476385
N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281549
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 119477041

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide (CID 119478251) is N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide is NC1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide?
The InChIKey is YBVCVQHXTJTSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-10-1-6-13(14(18)9-10)15(21)7-8-16(22)20-12-4-2-11(19)3-5-12/h1,6,9,11-12H,2-5,7-8,19H2,(H,20,22).
What are the key properties of N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide?
N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide has a molecular weight of 310.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 119478251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).