4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide

C18H15ClF2N2O3 — CID 112500071

IUPAC4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(Cl)cc2Oc2ccc(F)cc2F)CCN1
InChIInChI=1S/C18H15ClF2N2O3/c19-10-1-3-13(18(25)23-12-5-6-22-17(24)9-12)16(7-10)26-15-4-2-11(20)8-14(15)21/h1-4,7-8,12H,5-6,9H2,(H,22,24)(H,23,25)
InChIKeyQGXDJDCEDRMZSS-UHFFFAOYSA-N
MW380.78 g/mol
LogP3.42
Rot. Bonds4

About 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide

4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide (PubChem CID 112500071) has the molecular formula C18H15ClF2N2O3 and a molecular weight of 380.78 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide
PubChem CID112500071
Molecular FormulaC18H15ClF2N2O3
Molecular Weight380.78 g/mol
Exact Mass380.07
IUPAC Name4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(Cl)cc2Oc2ccc(F)cc2F)CCN1
InChIInChI=1S/C18H15ClF2N2O3/c19-10-1-3-13(18(25)23-12-5-6-22-17(24)9-12)16(7-10)26-15-4-2-11(20)8-14(15)21/h1-4,7-8,12H,5-6,9H2,(H,22,24)(H,23,25)
InChIKeyQGXDJDCEDRMZSS-UHFFFAOYSA-N
XLogP3.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide?
The IUPAC name of 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide (CID 112500071) is 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide is O=C1CC(NC(=O)c2ccc(Cl)cc2Oc2ccc(F)cc2F)CCN1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide?
The InChIKey is QGXDJDCEDRMZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O3/c19-10-1-3-13(18(25)23-12-5-6-22-17(24)9-12)16(7-10)26-15-4-2-11(20)8-14(15)21/h1-4,7-8,12H,5-6,9H2,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide?
4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide has a molecular weight of 380.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide is sourced from PubChem (CID 112500071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).