4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide

C16H22ClNO3 — CID 111447249

IUPAC4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
SMILESCC(O)CC(C)CNC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO3/c1-11(9-12(2)19)10-18-16(21)8-7-15(20)13-3-5-14(17)6-4-13/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,21)
InChIKeyYCACMKVSVCPPIV-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.83
Rot. Bonds8

About 4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide

4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide (PubChem CID 111447249) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
PubChem CID111447249
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
SMILESCC(O)CC(C)CNC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO3/c1-11(9-12(2)19)10-18-16(21)8-7-15(20)13-3-5-14(17)6-4-13/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,21)
InChIKeyYCACMKVSVCPPIV-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide
CID 111447676
4-(3,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447209
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447770
3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447156
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074
3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447050
propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 26716884
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509009
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide (CID 111447249) is 4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide is CC(O)CC(C)CNC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide?
The InChIKey is YCACMKVSVCPPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-11(9-12(2)19)10-18-16(21)8-7-15(20)13-3-5-14(17)6-4-13/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,21).
What are the key properties of 4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide?
4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide has a molecular weight of 311.81 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide is sourced from PubChem (CID 111447249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).