2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide

C12H16ClNO2 — CID 65110146

IUPAC2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-12(2,16)8-14-11(15)7-9-3-5-10(13)6-4-9/h3-6,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyHTYHBSRWDCRLAF-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.77
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide

2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 65110146) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID65110146
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-12(2,16)8-14-11(15)7-9-3-5-10(13)6-4-9/h3-6,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyHTYHBSRWDCRLAF-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
4-[[2-(4-chlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001714
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide (CID 65110146) is 2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide is CC(C)(O)CNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is HTYHBSRWDCRLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(2,16)8-14-11(15)7-9-3-5-10(13)6-4-9/h3-6,16H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 241.72 g/mol, XLogP of 1.77, 4 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-2-methylpropyl)acetamide is sourced from PubChem (CID 65110146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).