2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide

C14H18ClNO4 — CID 103954312

IUPAC2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1(CO)CCOCC1
InChIInChI=1S/C14H18ClNO4/c15-11-1-3-12(4-2-11)20-9-13(18)16-14(10-17)5-7-19-8-6-14/h1-4,17H,5-10H2,(H,16,18)
InChIKeyDEPRVWUBLITRPK-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.38
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide

2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide (PubChem CID 103954312) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
PubChem CID103954312
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1(CO)CCOCC1
InChIInChI=1S/C14H18ClNO4/c15-11-1-3-12(4-2-11)20-9-13(18)16-14(10-17)5-7-19-8-6-14/h1-4,17H,5-10H2,(H,16,18)
InChIKeyDEPRVWUBLITRPK-UHFFFAOYSA-N
XLogP1.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
2-(2-fluorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954074
N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide
CID 106300559
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954073
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
CID 100781339
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide (CID 103954312) is 2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide is O=C(COc1ccc(Cl)cc1)NC1(CO)CCOCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The InChIKey is DEPRVWUBLITRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c15-11-1-3-12(4-2-11)20-9-13(18)16-14(10-17)5-7-19-8-6-14/h1-4,17H,5-10H2,(H,16,18).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide has a molecular weight of 299.75 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide is sourced from PubChem (CID 103954312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).