2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide

C21H14Cl3NO — CID 4287283

IUPAC2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H14Cl3NO/c22-17-12-19(24)20(13-18(17)23)25-21(26)16(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-13H,(H,25,26)
InChIKeyYWJKMEYCBFISQI-UHFFFAOYSA-N
MW402.71 g/mol
LogP6.83
Rot. Bonds4

About 2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide

2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide (PubChem CID 4287283) has the molecular formula C21H14Cl3NO and a molecular weight of 402.71 g/mol. Its IUPAC name is 2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
PubChem CID4287283
Molecular FormulaC21H14Cl3NO
Molecular Weight402.71 g/mol
Exact Mass401.01
IUPAC Name2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H14Cl3NO/c22-17-12-19(24)20(13-18(17)23)25-21(26)16(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-13H,(H,25,26)
InChIKeyYWJKMEYCBFISQI-UHFFFAOYSA-N
XLogP6.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.71
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
CID 6526443
(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
CID 19174131
N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
CID 5085648
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
CID 4121626
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 4565641
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321615
(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307
(E)-N-(2-ethoxyphenyl)-2,3-diphenylprop-2-enamide
CID 6522812

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide?
The IUPAC name of 2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide (CID 4287283) is 2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide.
What is the SMILES notation for 2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide?
The canonical SMILES for 2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide?
The InChIKey is YWJKMEYCBFISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3NO/c22-17-12-19(24)20(13-18(17)23)25-21(26)16(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-13H,(H,25,26).
What are the key properties of 2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide?
2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide has a molecular weight of 402.71 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide is sourced from PubChem (CID 4287283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).