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

C15H18F2N2O2 — CID 119614643

IUPACN-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide
SMILESNCC(NC(=O)CCC(=O)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C15H18F2N2O2/c16-11-4-3-10(7-12(11)17)14(20)5-6-15(21)19-13(8-18)9-1-2-9/h3-4,7,9,13H,1-2,5-6,8,18H2,(H,19,21)
InChIKeyRLJGYQQUTGZNGT-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.78
Rot. Bonds7

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

N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide (PubChem CID 119614643) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide
PubChem CID119614643
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide
SMILESNCC(NC(=O)CCC(=O)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C15H18F2N2O2/c16-11-4-3-10(7-12(11)17)14(20)5-6-15(21)19-13(8-18)9-1-2-9/h3-4,7,9,13H,1-2,5-6,8,18H2,(H,19,21)
InChIKeyRLJGYQQUTGZNGT-UHFFFAOYSA-N
XLogP1.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119591138
N-butan-2-yl-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 112511074
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 119573652
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 97014635
(2R)-2-[[4-(3,4-difluorophenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 119364252
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
CID 119614425
4-amino-1-(3,4-difluorophenyl)butan-1-one
CID 82341709
N-(2-amino-1-cyclopropylethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119614047
N-(2-amino-1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119614077
4-(3-amino-4-fluorophenyl)-4-oxo-N-propan-2-ylbutanamide
CID 94269958
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide (CID 119614643) is N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide is NCC(NC(=O)CCC(=O)c1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
The InChIKey is RLJGYQQUTGZNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c16-11-4-3-10(7-12(11)17)14(20)5-6-15(21)19-13(8-18)9-1-2-9/h3-4,7,9,13H,1-2,5-6,8,18H2,(H,19,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide has a molecular weight of 296.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 119614643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).