2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide

C13H18ClNO2 — CID 65114916

IUPAC2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-3-13(2,17)9-15-12(16)8-10-6-4-5-7-11(10)14/h4-7,17H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyQQENOJGLNLVEGN-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.16
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide

2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide (PubChem CID 65114916) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
PubChem CID65114916
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-3-13(2,17)9-15-12(16)8-10-6-4-5-7-11(10)14/h4-7,17H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyQQENOJGLNLVEGN-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500955
2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 90498486
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate
CID 113254769
2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114505
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615
4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003499
N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65114973
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
2-chloro-6-[[(2-hydroxy-2-methylbutyl)amino]methyl]phenol
CID 112554014

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide (CID 65114916) is 2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide is CCC(C)(O)CNC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The InChIKey is QQENOJGLNLVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-13(2,17)9-15-12(16)8-10-6-4-5-7-11(10)14/h4-7,17H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide?
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide has a molecular weight of 255.75 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 65114916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).