3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide

C17H16Cl2N2O2 — CID 53251573

IUPAC3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-6-3-12(9-15(14)19)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-6,9,16,20H,7-8,10H2,(H,21,22)
InChIKeyKVEVLQHABPKJPX-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.91
Rot. Bonds3

About 3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide

3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide (PubChem CID 53251573) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide
PubChem CID53251573
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-6-3-12(9-15(14)19)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-6,9,16,20H,7-8,10H2,(H,21,22)
InChIKeyKVEVLQHABPKJPX-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-N-(4-morpholin-2-ylphenyl)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 3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide (CID 53251573) is 3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide?
The InChIKey is KVEVLQHABPKJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-14-6-3-12(9-15(14)19)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-6,9,16,20H,7-8,10H2,(H,21,22).
What are the key properties of 3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide?
3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-morpholin-2-ylphenyl)benzamide is sourced from PubChem (CID 53251573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).