3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide

C15H10Cl3NO — CID 3527229

IUPAC3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO/c16-11-3-1-2-10(8-11)4-7-15(20)19-12-5-6-13(17)14(18)9-12/h1-9H,(H,19,20)
InChIKeyLQKLSAYXCVANPJ-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.30
Rot. Bonds3

About 3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide

3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 3527229) has the molecular formula C15H10Cl3NO and a molecular weight of 326.61 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID3527229
Molecular FormulaC15H10Cl3NO
Molecular Weight326.61 g/mol
Exact Mass324.98
IUPAC Name3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO/c16-11-3-1-2-10(8-11)4-7-15(20)19-12-5-6-13(17)14(18)9-12/h1-9H,(H,19,20)
InChIKeyLQKLSAYXCVANPJ-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide
CID 60576616
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 896227
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide (CID 3527229) is 3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide is O=C(C=Cc1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is LQKLSAYXCVANPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO/c16-11-3-1-2-10(8-11)4-7-15(20)19-12-5-6-13(17)14(18)9-12/h1-9H,(H,19,20).
What are the key properties of 3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 326.61 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 3527229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).