3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide

C33H33Cl2N5O4 — CID 67251748

IUPAC3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cccc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cncc(Cl)c1
InChIInChI=1S/C17H17ClN2O2.C16H16ClN3O2/c18-14-3-1-2-13(10-14)17(21)20-15-6-4-12(5-7-15)16-11-19-8-9-22-16;17-13-7-12(8-19-9-13)16(21)20-14-3-1-11(2-4-14)15-10-18-5-6-22-15/h1-7,10,16,19H,8-9,11H2,(H,20,21);1-4,7-9,15,18H,5-6,10H2,(H,20,21)
InChIKeyIINVILCDPZHGDQ-UHFFFAOYSA-N
MW634.56 g/mol
LogP5.90
Rot. Bonds6

About 3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide

3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 67251748) has the molecular formula C33H33Cl2N5O4 and a molecular weight of 634.56 g/mol. Its IUPAC name is 3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
PubChem CID67251748
Molecular FormulaC33H33Cl2N5O4
Molecular Weight634.56 g/mol
Exact Mass633.19
IUPAC Name3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cccc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cncc(Cl)c1
InChIInChI=1S/C17H17ClN2O2.C16H16ClN3O2/c18-14-3-1-2-13(10-14)17(21)20-15-6-4-12(5-7-15)16-11-19-8-9-22-16;17-13-7-12(8-19-9-13)16(21)20-14-3-1-11(2-4-14)15-10-18-5-6-22-15/h1-7,10,16,19H,8-9,11H2,(H,20,21);1-4,7-9,15,18H,5-6,10H2,(H,20,21)
InChIKeyIINVILCDPZHGDQ-UHFFFAOYSA-N
XLogP5.90
TPSA113.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.56
LogP ≤ 55.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide 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-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide (CID 67251748) is 3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1cccc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cncc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is IINVILCDPZHGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2.C16H16ClN3O2/c18-14-3-1-2-13(10-14)17(21)20-15-6-4-12(5-7-15)16-11-19-8-9-22-16;17-13-7-12(8-19-9-13)16(21)20-14-3-1-11(2-4-14)15-10-18-5-6-22-15/h1-7,10,16,19H,8-9,11H2,(H,20,21);1-4,7-9,15,18H,5-6,10H2,(H,20,21).
What are the key properties of 3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 634.56 g/mol, XLogP of 5.90, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67251748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).