2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide

C26H27ClN4O2 — CID 70587712

IUPAC2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(C(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27ClN4O2/c27-20-12-10-19(11-13-20)25(32)24(18-29-23-9-5-4-8-22(23)26(28)33)31-16-14-30(15-17-31)21-6-2-1-3-7-21/h1-13,24,29H,14-18H2,(H2,28,33)
InChIKeyYBBRDJZDWCLMKU-UHFFFAOYSA-N
MW462.98 g/mol
LogP3.92
Rot. Bonds8

About 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide

2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide (PubChem CID 70587712) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
PubChem CID70587712
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC Name2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(C(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27ClN4O2/c27-20-12-10-19(11-13-20)25(32)24(18-29-23-9-5-4-8-22(23)26(28)33)31-16-14-30(15-17-31)21-6-2-1-3-7-21/h1-13,24,29H,14-18H2,(H2,28,33)
InChIKeyYBBRDJZDWCLMKU-UHFFFAOYSA-N
XLogP3.92
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]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

2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70589627
2-[[3-(4-aminophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70587814
2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70587879
2-[[3-(3-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70590944
methyl 4-amino-2-[[3-oxo-3-phenyl-2-(4-phenylpiperazin-1-yl)propyl]amino]benzoate
CID 70589623
methyl 4-methoxy-2-[[3-oxo-3-phenyl-2-(4-phenylpiperazin-1-yl)propyl]amino]benzoate
CID 70589210
2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70587768
2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid
CID 70588001
(2R)-1-(4-chlorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one
CID 92967009
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
4-chloro-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 126851837
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide (CID 70587712) is 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide is NC(=O)c1ccccc1NCC(C(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The InChIKey is YBBRDJZDWCLMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c27-20-12-10-19(11-13-20)25(32)24(18-29-23-9-5-4-8-22(23)26(28)33)31-16-14-30(15-17-31)21-6-2-1-3-7-21/h1-13,24,29H,14-18H2,(H2,28,33).
What are the key properties of 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide has a molecular weight of 462.98 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide is sourced from PubChem (CID 70587712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).