(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide

C22H15Cl2NO2 — CID 6121168

IUPAC(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H15Cl2NO2/c23-17-11-12-20(18(14-17)22(27)16-7-2-1-3-8-16)25-21(26)13-10-15-6-4-5-9-19(15)24/h1-14H,(H,25,26)/b13-10+
InChIKeyYMCBKZKDRGAJAC-JLHYYAGUSA-N
MW396.27 g/mol
LogP5.88
Rot. Bonds5

About (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide

(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide (PubChem CID 6121168) has the molecular formula C22H15Cl2NO2 and a molecular weight of 396.27 g/mol. Its IUPAC name is (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
PubChem CID6121168
Molecular FormulaC22H15Cl2NO2
Molecular Weight396.27 g/mol
Exact Mass395.05
IUPAC Name(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H15Cl2NO2/c23-17-11-12-20(18(14-17)22(27)16-7-2-1-3-8-16)25-21(26)13-10-15-6-4-5-9-19(15)24/h1-14H,(H,25,26)/b13-10+
InChIKeyYMCBKZKDRGAJAC-JLHYYAGUSA-N
XLogP5.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.27
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide 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

5-chloro-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292165
N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4184511
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
N-(2-benzoyl-4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4652681
N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 4512617
2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-5-chlorobenzamide
CID 53329238
5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 23292129
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583304

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide (CID 6121168) is (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide?
The InChIKey is YMCBKZKDRGAJAC-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H15Cl2NO2/c23-17-11-12-20(18(14-17)22(27)16-7-2-1-3-8-16)25-21(26)13-10-15-6-4-5-9-19(15)24/h1-14H,(H,25,26)/b13-10+.
What are the key properties of (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide?
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide has a molecular weight of 396.27 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 6121168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).