2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

C14H20ClNO2 — CID 62520281

IUPAC2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-3-14(4-2,10-17)16-13(18)9-11-5-7-12(15)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyYQFARXDUPFWWOY-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.55
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (PubChem CID 62520281) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
PubChem CID62520281
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-3-14(4-2,10-17)16-13(18)9-11-5-7-12(15)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyYQFARXDUPFWWOY-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62517073
N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107031119
2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide
CID 4303275
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873
N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide
CID 114304696
5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 113434986
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
CID 103891021
N-[3-(hydroxymethyl)pentan-3-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 62518861
2-(4-chlorophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884674
N-[3-(hydroxymethyl)pentan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 62520655
N-[3-(chloromethyl)pentan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114304583
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (CID 62520281) is 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is CCC(CC)(CO)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The InChIKey is YQFARXDUPFWWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-14(4-2,10-17)16-13(18)9-11-5-7-12(15)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is sourced from PubChem (CID 62520281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).