3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide

C19H18Cl2N2O3 — CID 1421909

IUPAC3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
SMILESCCC(=O)Nc1ccc(NC(=O)C=Cc2cc(Cl)cc(Cl)c2OC)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-3-17(24)22-14-5-7-15(8-6-14)23-18(25)9-4-12-10-13(20)11-16(21)19(12)26-2/h4-11H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFIDRVYMJUUEWFI-UHFFFAOYSA-N
MW393.27 g/mol
LogP5.00
Rot. Bonds6

About 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide

3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide (PubChem CID 1421909) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
PubChem CID1421909
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
SMILESCCC(=O)Nc1ccc(NC(=O)C=Cc2cc(Cl)cc(Cl)c2OC)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-3-17(24)22-14-5-7-15(8-6-14)23-18(25)9-4-12-10-13(20)11-16(21)19(12)26-2/h4-11H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFIDRVYMJUUEWFI-UHFFFAOYSA-N
XLogP5.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.27
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)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-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1395964
N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 4676710
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
N-(3-acetylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1422060
3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4004961
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)prop-2-enamide
CID 1397507
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
CID 4008558
3-chloro-N-[3-[[(E)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 2066848
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
(E)-3-(2,4-dichlorophenyl)-N-[[4-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide
CID 1346256
N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 3573638
methyl 2-[3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 4203326

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The IUPAC name of 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide (CID 1421909) is 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The canonical SMILES for 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide is CCC(=O)Nc1ccc(NC(=O)C=Cc2cc(Cl)cc(Cl)c2OC)cc1.
What is the InChIKey of 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The InChIKey is FIDRVYMJUUEWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-3-17(24)22-14-5-7-15(8-6-14)23-18(25)9-4-12-10-13(20)11-16(21)19(12)26-2/h4-11H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide has a molecular weight of 393.27 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 1421909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).