4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide

C12H16ClNO2 — CID 90691212

IUPAC4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide
SMILESCC(C)(C(N)=O)C(O)Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-12(2,11(14)16)10(15)7-8-5-3-4-6-9(8)13/h3-6,10,15H,7H2,1-2H3,(H2,14,16)
InChIKeyJSWIFWWWZUOIPK-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.75
Rot. Bonds4

About 4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide

4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide (PubChem CID 90691212) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide
PubChem CID90691212
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide
SMILESCC(C)(C(N)=O)C(O)Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-12(2,11(14)16)10(15)7-8-5-3-4-6-9(8)13/h3-6,10,15H,7H2,1-2H3,(H2,14,16)
InChIKeyJSWIFWWWZUOIPK-UHFFFAOYSA-N
XLogP1.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol
CID 116751904
2-[(2-chlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83138130
tert-butyl (2S)-2-amino-3-(2-chlorophenyl)propanoate
CID 54222459
[5-(2-chlorophenyl)-3,4-dihydroxypentyl] 2,2-dimethylpropanoate
CID 90018911
(3R,6S)-1,8-bis(2-chlorophenyl)-2,3,6,7-tetrahydroxyoctane-4,5-dione
CID 54545376
3-bromo-4-(2-chlorophenyl)butan-2-one
CID 62395500
4-(2-chlorophenyl)-3-methylbutan-2-one
CID 59397015
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
(2R,3R)-3-amino-4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95383619
(2R,3S)-3-amino-4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95383620
(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine
CID 129393023
3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 81489482

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide?
The IUPAC name of 4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide (CID 90691212) is 4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for 4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide is CC(C)(C(N)=O)C(O)Cc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide?
The InChIKey is JSWIFWWWZUOIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(2,11(14)16)10(15)7-8-5-3-4-6-9(8)13/h3-6,10,15H,7H2,1-2H3,(H2,14,16).
What are the key properties of 4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide?
4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide has a molecular weight of 241.72 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 90691212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).