N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide

C16H20F2N2O2 — CID 119573652

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide
SMILESCC(CN)(NC(=O)CCC(=O)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C16H20F2N2O2/c1-16(9-19,11-3-4-11)20-15(22)7-6-14(21)10-2-5-12(17)13(18)8-10/h2,5,8,11H,3-4,6-7,9,19H2,1H3,(H,20,22)
InChIKeyWPEINZUTJIGXTQ-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.17
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide (PubChem CID 119573652) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide
PubChem CID119573652
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide
SMILESCC(CN)(NC(=O)CCC(=O)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C16H20F2N2O2/c1-16(9-19,11-3-4-11)20-15(22)7-6-14(21)10-2-5-12(17)13(18)8-10/h2,5,8,11H,3-4,6-7,9,19H2,1H3,(H,20,22)
InChIKeyWPEINZUTJIGXTQ-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119574756
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 119598529
N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 81486981
N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 119614643
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119574900
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 119575122
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119574006
4-amino-1-(3,4-difluorophenyl)butan-1-one
CID 82341709

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide (CID 119573652) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide is CC(CN)(NC(=O)CCC(=O)c1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
The InChIKey is WPEINZUTJIGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-16(9-19,11-3-4-11)20-15(22)7-6-14(21)10-2-5-12(17)13(18)8-10/h2,5,8,11H,3-4,6-7,9,19H2,1H3,(H,20,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide has a molecular weight of 310.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 119573652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).