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

C15H10Cl3NO — CID 966049

IUPAC3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO/c16-11-6-7-14(13(18)9-11)19-15(20)8-5-10-3-1-2-4-12(10)17/h1-9H,(H,19,20)
InChIKeyLJMQUEMQQWDNQV-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.30
Rot. Bonds3

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

3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 966049) has the molecular formula C15H10Cl3NO and a molecular weight of 326.61 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID966049
Molecular FormulaC15H10Cl3NO
Molecular Weight326.61 g/mol
Exact Mass324.98
IUPAC Name3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO/c16-11-6-7-14(13(18)9-11)19-15(20)8-5-10-3-1-2-4-12(10)17/h1-9H,(H,19,20)
InChIKeyLJMQUEMQQWDNQV-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

5-chloro-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292165
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 6121168
(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 28867729
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
4-[2-[3-(2-chlorophenyl)prop-2-enoylcarbamothioyl]hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide
CID 4510028
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4004961

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide (CID 966049) is 3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is LJMQUEMQQWDNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO/c16-11-6-7-14(13(18)9-11)19-15(20)8-5-10-3-1-2-4-12(10)17/h1-9H,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
3-(2-chlorophenyl)-N-(2,4-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-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 966049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).