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

C14H18ClNO3 — CID 103954217

IUPAC2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1(CO)CCOCC1
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-2-11(8-12)9-13(18)16-14(10-17)4-6-19-7-5-14/h1-3,8,17H,4-7,9-10H2,(H,16,18)
InChIKeyDWDBHJKFAOINKQ-UHFFFAOYSA-N
MW283.75 g/mol
LogP1.54
Rot. Bonds4

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

2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide (PubChem CID 103954217) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
PubChem CID103954217
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1(CO)CCOCC1
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-2-11(8-12)9-13(18)16-14(10-17)4-6-19-7-5-14/h1-3,8,17H,4-7,9-10H2,(H,16,18)
InChIKeyDWDBHJKFAOINKQ-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide
CID 146076468
N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
CID 106300669
N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide
CID 106300936
2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid
CID 106296960
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550
2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312
N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide
CID 106300559
2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid
CID 119215134
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764608
4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 158711552

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide (CID 103954217) is 2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide is O=C(Cc1cccc(Cl)c1)NC1(CO)CCOCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The InChIKey is DWDBHJKFAOINKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-3-1-2-11(8-12)9-13(18)16-14(10-17)4-6-19-7-5-14/h1-3,8,17H,4-7,9-10H2,(H,16,18).
What are the key properties of 2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide has a molecular weight of 283.75 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide is sourced from PubChem (CID 103954217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).