2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide

C14H20ClNO2 — CID 111447713

IUPAC2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
SMILESCC(O)CC(C)CNC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(6-11(2)17)9-16-14(18)8-12-4-3-5-13(15)7-12/h3-5,7,10-11,17H,6,8-9H2,1-2H3,(H,16,18)
InChIKeyAKIPZPTXLYLATJ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.41
Rot. Bonds6

About 2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide

2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide (PubChem CID 111447713) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
PubChem CID111447713
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
SMILESCC(O)CC(C)CNC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(6-11(2)17)9-16-14(18)8-12-4-3-5-13(15)7-12/h3-5,7,10-11,17H,6,8-9H2,1-2H3,(H,16,18)
InChIKeyAKIPZPTXLYLATJ-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447961
2-(3-chlorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658434
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide
CID 62668200
N-(4-hydroxy-2-methylpentyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 111447952
N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
CID 111447112
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447770
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
CID 106288320
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
CID 114315718
1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide
CID 97338956
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031428

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide (CID 111447713) is 2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide is CC(O)CC(C)CNC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The InChIKey is AKIPZPTXLYLATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(6-11(2)17)9-16-14(18)8-12-4-3-5-13(15)7-12/h3-5,7,10-11,17H,6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide?
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide is sourced from PubChem (CID 111447713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).