3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide

C20H18Cl2N2O2 — CID 1318837

IUPAC3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C20H18Cl2N2O2/c21-15-9-7-14(17(22)13-15)8-10-19(25)23-18-6-2-1-5-16(18)20(26)24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12H2,(H,23,25)
InChIKeyANFBUYXZFHZUAU-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.88
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide

3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide (PubChem CID 1318837) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
PubChem CID1318837
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C20H18Cl2N2O2/c21-15-9-7-14(17(22)13-15)8-10-19(25)23-18-6-2-1-5-16(18)20(26)24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12H2,(H,23,25)
InChIKeyANFBUYXZFHZUAU-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]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

N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 4590668
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 4938046
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
ethyl 2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]benzoate
CID 4152083
5-chloro-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292165
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
2-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
CID 4508044
(E)-N-[2-(azepane-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234393
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 4937958
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
(E)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26706811

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide (CID 1318837) is 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The InChIKey is ANFBUYXZFHZUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c21-15-9-7-14(17(22)13-15)8-10-19(25)23-18-6-2-1-5-16(18)20(26)24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12H2,(H,23,25).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide has a molecular weight of 389.28 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 1318837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).