2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide

C35H29ClN2O2 — CID 135397500

IUPAC2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide
SMILESCNC(=O)Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1Cl
InChIInChI=1S/C35H29ClN2O2/c1-37-34(39)22-26-14-8-9-15-28(26)23-38-35(40)32-17-16-27(21-33(32)36)31-19-29(24-10-4-2-5-11-24)18-30(20-31)25-12-6-3-7-13-25/h2-21H,22-23H2,1H3,(H,37,39)(H,38,40)
InChIKeyRYIMTUGUAIMFGV-UHFFFAOYSA-N
MW545.08 g/mol
LogP7.56
Rot. Bonds8

About 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide

2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide (PubChem CID 135397500) has the molecular formula C35H29ClN2O2 and a molecular weight of 545.08 g/mol. Its IUPAC name is 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide
PubChem CID135397500
Molecular FormulaC35H29ClN2O2
Molecular Weight545.08 g/mol
Exact Mass544.19
IUPAC Name2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide
SMILESCNC(=O)Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1Cl
InChIInChI=1S/C35H29ClN2O2/c1-37-34(39)22-26-14-8-9-15-28(26)23-38-35(40)32-17-16-27(21-33(32)36)31-19-29(24-10-4-2-5-11-24)18-30(20-31)25-12-6-3-7-13-25/h2-21H,22-23H2,1H3,(H,37,39)(H,38,40)
InChIKeyRYIMTUGUAIMFGV-UHFFFAOYSA-N
XLogP7.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.08
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]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 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide (CID 135397500) is 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide is CNC(=O)Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide?
The InChIKey is RYIMTUGUAIMFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29ClN2O2/c1-37-34(39)22-26-14-8-9-15-28(26)23-38-35(40)32-17-16-27(21-33(32)36)31-19-29(24-10-4-2-5-11-24)18-30(20-31)25-12-6-3-7-13-25/h2-21H,22-23H2,1H3,(H,37,39)(H,38,40).
What are the key properties of 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide?
2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide has a molecular weight of 545.08 g/mol, XLogP of 7.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-diphenylphenyl)-N-[[2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]benzamide is sourced from PubChem (CID 135397500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).