3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide

C12H12ClNO4 — CID 71440129

IUPAC3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide
SMILESO=C(NC1C(=O)OCC1CO)c1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO4/c13-9-3-1-2-7(4-9)11(16)14-10-8(5-15)6-18-12(10)17/h1-4,8,10,15H,5-6H2,(H,14,16)
InChIKeyRKEXWKZAMJKTHT-UHFFFAOYSA-N
MW269.68 g/mol
LogP0.60
Rot. Bonds3

About 3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide

3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide (PubChem CID 71440129) has the molecular formula C12H12ClNO4 and a molecular weight of 269.68 g/mol. Its IUPAC name is 3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide
PubChem CID71440129
Molecular FormulaC12H12ClNO4
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide
SMILESO=C(NC1C(=O)OCC1CO)c1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO4/c13-9-3-1-2-7(4-9)11(16)14-10-8(5-15)6-18-12(10)17/h1-4,8,10,15H,5-6H2,(H,14,16)
InChIKeyRKEXWKZAMJKTHT-UHFFFAOYSA-N
XLogP0.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide (CID 71440129) is 3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide is O=C(NC1C(=O)OCC1CO)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide?
The InChIKey is RKEXWKZAMJKTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4/c13-9-3-1-2-7(4-9)11(16)14-10-8(5-15)6-18-12(10)17/h1-4,8,10,15H,5-6H2,(H,14,16).
What are the key properties of 3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide?
3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide has a molecular weight of 269.68 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide is sourced from PubChem (CID 71440129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).