2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide

C16H24ClNO2 — CID 70276088

IUPAC2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide
SMILESCC(C(=O)NC(C)(C(C)C)C(C)O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-10(2)16(5,12(4)19)18-15(20)11(3)13-6-8-14(17)9-7-13/h6-12,19H,1-5H3,(H,18,20)
InChIKeyKQGLQSDHQIVECY-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.36
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide

2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide (PubChem CID 70276088) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide
PubChem CID70276088
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide
SMILESCC(C(=O)NC(C)(C(C)C)C(C)O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-10(2)16(5,12(4)19)18-15(20)11(3)13-6-8-14(17)9-7-13/h6-12,19H,1-5H3,(H,18,20)
InChIKeyKQGLQSDHQIVECY-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
2-(4-chlorophenyl)-N'-methylpropanehydrazide
CID 116846979
tert-butyl 2-(4-chlorophenyl)propanoate
CID 22592402
3-(4-chlorophenyl)butan-2-one
CID 21269944
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 61261712
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
2-[2-(3,4-dichlorophenyl)propanoylamino]-2-methylpropanoic acid
CID 119187880
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
CID 966380
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide (CID 70276088) is 2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide is CC(C(=O)NC(C)(C(C)C)C(C)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide?
The InChIKey is KQGLQSDHQIVECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-10(2)16(5,12(4)19)18-15(20)11(3)13-6-8-14(17)9-7-13/h6-12,19H,1-5H3,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide?
2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide has a molecular weight of 297.83 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide is sourced from PubChem (CID 70276088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).