3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide

C26H25Cl3N4O3 — CID 168865803

IUPAC3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N(CCN2CCOCC2)C(=O)Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C26H25Cl3N4O3/c27-19-2-6-21(7-3-19)30-25(34)18-1-10-24(23(29)17-18)33(12-11-32-13-15-36-16-14-32)26(35)31-22-8-4-20(28)5-9-22/h1-10,17H,11-16H2,(H,30,34)(H,31,35)
InChIKeyCIRRXQRQBKJRSG-UHFFFAOYSA-N
MW547.87 g/mol
LogP6.27
Rot. Bonds7

About 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide

3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide (PubChem CID 168865803) has the molecular formula C26H25Cl3N4O3 and a molecular weight of 547.87 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide
PubChem CID168865803
Molecular FormulaC26H25Cl3N4O3
Molecular Weight547.87 g/mol
Exact Mass546.10
IUPAC Name3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N(CCN2CCOCC2)C(=O)Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C26H25Cl3N4O3/c27-19-2-6-21(7-3-19)30-25(34)18-1-10-24(23(29)17-18)33(12-11-32-13-15-36-16-14-32)26(35)31-22-8-4-20(28)5-9-22/h1-10,17H,11-16H2,(H,30,34)(H,31,35)
InChIKeyCIRRXQRQBKJRSG-UHFFFAOYSA-N
XLogP6.27
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.87
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
N-[6-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 162383185
3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 15995461
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113117743
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide
CID 71877034
5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4588294
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide (CID 168865803) is 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(N(CCN2CCOCC2)C(=O)Nc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide?
The InChIKey is CIRRXQRQBKJRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl3N4O3/c27-19-2-6-21(7-3-19)30-25(34)18-1-10-24(23(29)17-18)33(12-11-32-13-15-36-16-14-32)26(35)31-22-8-4-20(28)5-9-22/h1-10,17H,11-16H2,(H,30,34)(H,31,35).
What are the key properties of 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide?
3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide has a molecular weight of 547.87 g/mol, XLogP of 6.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]benzamide is sourced from PubChem (CID 168865803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).