2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide

C15H20ClNO3 — CID 115362360

IUPAC2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NCC1(CO)CCCC1
InChIInChI=1S/C15H20ClNO3/c16-12-4-3-5-13(8-12)20-9-14(19)17-10-15(11-18)6-1-2-7-15/h3-5,8,18H,1-2,6-7,9-11H2,(H,17,19)
InChIKeyUJSWQWBIHJXPPN-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.39
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide

2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide (PubChem CID 115362360) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
PubChem CID115362360
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NCC1(CO)CCCC1
InChIInChI=1S/C15H20ClNO3/c16-12-4-3-5-13(8-12)20-9-14(19)17-10-15(11-18)6-1-2-7-15/h3-5,8,18H,1-2,6-7,9-11H2,(H,17,19)
InChIKeyUJSWQWBIHJXPPN-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163585
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956
2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701234
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(2-hydroxyphenoxy)acetamide
CID 115362129
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80750925
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide (CID 115362360) is 2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide is O=C(COc1cccc(Cl)c1)NCC1(CO)CCCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The InChIKey is UJSWQWBIHJXPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-12-4-3-5-13(8-12)20-9-14(19)17-10-15(11-18)6-1-2-7-15/h3-5,8,18H,1-2,6-7,9-11H2,(H,17,19).
What are the key properties of 2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide?
2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide has a molecular weight of 297.78 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 115362360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).