4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide

C17H21ClF2N2O2 — CID 49074790

IUPAC4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C17H21ClF2N2O2/c18-13-3-1-12(2-4-13)15(23)5-6-17(24)21-14-7-9-22(10-8-14)11-16(19)20/h1-4,14,16H,5-11H2,(H,21,24)
InChIKeyHQEIYVJRXDLTIJ-UHFFFAOYSA-N
MW358.82 g/mol
LogP3.15
Rot. Bonds7

About 4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide (PubChem CID 49074790) has the molecular formula C17H21ClF2N2O2 and a molecular weight of 358.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide
PubChem CID49074790
Molecular FormulaC17H21ClF2N2O2
Molecular Weight358.82 g/mol
Exact Mass358.13
IUPAC Name4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C17H21ClF2N2O2/c18-13-3-1-12(2-4-13)15(23)5-6-17(24)21-14-7-9-22(10-8-14)11-16(19)20/h1-4,14,16H,5-11H2,(H,21,24)
InChIKeyHQEIYVJRXDLTIJ-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 49074485
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108560467
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide
CID 51203664
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 49074675
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552034
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552045
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide
CID 49072721
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
CID 49073422
6-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]naphthalene-2-carboxylic acid
CID 24745006

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide (CID 49074790) is 4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NC1CCN(CC(F)F)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide?
The InChIKey is HQEIYVJRXDLTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF2N2O2/c18-13-3-1-12(2-4-13)15(23)5-6-17(24)21-14-7-9-22(10-8-14)11-16(19)20/h1-4,14,16H,5-11H2,(H,21,24).
What are the key properties of 4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide has a molecular weight of 358.82 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide is sourced from PubChem (CID 49074790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).