2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide

C13H18ClNO2 — CID 113258913

IUPAC2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)C(O)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-9(2)12(16)8-15-13(17)7-10-5-3-4-6-11(10)14/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeySPQOMXACUHSQCU-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.02
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide

2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide (PubChem CID 113258913) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
PubChem CID113258913
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)C(O)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-9(2)12(16)8-15-13(17)7-10-5-3-4-6-11(10)14/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeySPQOMXACUHSQCU-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
CID 114308630
3-[[2-(2-chlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261274
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide
CID 114306400
2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473834
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
2-(2-chlorophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]acetamide
CID 97105924
2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 90581804
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide
CID 24543034
2-(2-chlorophenyl)-N-pent-3-ynylacetamide
CID 115977322

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide (CID 113258913) is 2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide is CC(C)C(O)CNC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide?
The InChIKey is SPQOMXACUHSQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(2)12(16)8-15-13(17)7-10-5-3-4-6-11(10)14/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide?
2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide has a molecular weight of 255.74 g/mol, XLogP of 2.02, 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-3-methylbutyl)acetamide is sourced from PubChem (CID 113258913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).