3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide

C14H20ClNO2 — CID 115673311

IUPAC3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCC(O)CCN(C)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-11(17)9-10-16(2)14(18)8-7-12-5-3-4-6-13(12)15/h3-6,11,17H,7-10H2,1-2H3
InChIKeyZSGYWLDGKVYENS-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.50
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide

3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide (PubChem CID 115673311) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
PubChem CID115673311
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCC(O)CCN(C)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-11(17)9-10-16(2)14(18)8-7-12-5-3-4-6-13(12)15/h3-6,11,17H,7-10H2,1-2H3
InChIKeyZSGYWLDGKVYENS-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476
N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
CID 111695751
3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 71864025
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 110629514
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240
N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide
CID 119066296

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide (CID 115673311) is 3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide is CC(O)CCN(C)C(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The InChIKey is ZSGYWLDGKVYENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(17)9-10-16(2)14(18)8-7-12-5-3-4-6-13(12)15/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide?
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide has a molecular weight of 269.77 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide is sourced from PubChem (CID 115673311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).