N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide

C18H13Cl2NO2 — CID 175134350

IUPACN-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H13Cl2NO2/c1-2-18(23)21-15-8-4-13(5-9-15)17(22)10-6-12-3-7-14(19)11-16(12)20/h2-11H,1H2,(H,21,23)
InChIKeyULWZOVWXIVPUPY-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.01
Rot. Bonds5

About N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide

N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide (PubChem CID 175134350) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide
PubChem CID175134350
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC NameN-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H13Cl2NO2/c1-2-18(23)21-15-8-4-13(5-9-15)17(22)10-6-12-3-7-14(19)11-16(12)20/h2-11H,1H2,(H,21,23)
InChIKeyULWZOVWXIVPUPY-UHFFFAOYSA-N
XLogP5.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]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

4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 45426606
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
1-(4-tert-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 4531799
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
N-[4-[3-(2,6-difluorophenyl)prop-2-enoyl]phenyl]prop-2-enamide
CID 175356553
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
CID 101136088
N-[(Z)-1-(4-chlorophenyl)-3-[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22786976
N-[(Z)-3-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]anilino]-1-(2,4-dichlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22787082
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide (CID 175134350) is N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide?
The InChIKey is ULWZOVWXIVPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-2-18(23)21-15-8-4-13(5-9-15)17(22)10-6-12-3-7-14(19)11-16(12)20/h2-11H,1H2,(H,21,23).
What are the key properties of N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide?
N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide has a molecular weight of 346.21 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 175134350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).