4-chloro-3-(oxolan-3-ylamino)benzamide

C11H13ClN2O2 — CID 63332059

IUPAC4-chloro-3-(oxolan-3-ylamino)benzamide
SMILESNC(=O)c1ccc(Cl)c(NC2CCOC2)c1
InChIInChI=1S/C11H13ClN2O2/c12-9-2-1-7(11(13)15)5-10(9)14-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6H2,(H2,13,15)
InChIKeyDMJSEBWYDVXQOH-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.64
Rot. Bonds3

About 4-chloro-3-(oxolan-3-ylamino)benzamide

4-chloro-3-(oxolan-3-ylamino)benzamide (PubChem CID 63332059) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-chloro-3-(oxolan-3-ylamino)benzamide.

Molecular Properties

Compound Name4-chloro-3-(oxolan-3-ylamino)benzamide
PubChem CID63332059
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-chloro-3-(oxolan-3-ylamino)benzamide
SMILESNC(=O)c1ccc(Cl)c(NC2CCOC2)c1
InChIInChI=1S/C11H13ClN2O2/c12-9-2-1-7(11(13)15)5-10(9)14-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6H2,(H2,13,15)
InChIKeyDMJSEBWYDVXQOH-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(oxolan-3-ylamino)benzamide?
The IUPAC name of 4-chloro-3-(oxolan-3-ylamino)benzamide (CID 63332059) is 4-chloro-3-(oxolan-3-ylamino)benzamide.
What is the SMILES notation for 4-chloro-3-(oxolan-3-ylamino)benzamide?
The canonical SMILES for 4-chloro-3-(oxolan-3-ylamino)benzamide is NC(=O)c1ccc(Cl)c(NC2CCOC2)c1.
What is the InChIKey of 4-chloro-3-(oxolan-3-ylamino)benzamide?
The InChIKey is DMJSEBWYDVXQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-2-1-7(11(13)15)5-10(9)14-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6H2,(H2,13,15).
What are the key properties of 4-chloro-3-(oxolan-3-ylamino)benzamide?
4-chloro-3-(oxolan-3-ylamino)benzamide has a molecular weight of 240.69 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(oxolan-3-ylamino)benzamide is sourced from PubChem (CID 63332059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).