(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide

C21H15Cl2NO — CID 6526443

IUPAC(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15Cl2NO/c22-17-11-12-19(23)20(14-17)24-21(25)18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-14H,(H,24,25)/b18-13+
InChIKeyLMKLSWJOWGUQDO-QGOAFFKASA-N
MW368.26 g/mol
LogP6.17
Rot. Bonds4

About (E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide

(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide (PubChem CID 6526443) has the molecular formula C21H15Cl2NO and a molecular weight of 368.26 g/mol. Its IUPAC name is (E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
PubChem CID6526443
Molecular FormulaC21H15Cl2NO
Molecular Weight368.26 g/mol
Exact Mass367.05
IUPAC Name(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15Cl2NO/c22-17-11-12-19(23)20(14-17)24-21(25)18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-14H,(H,24,25)/b18-13+
InChIKeyLMKLSWJOWGUQDO-QGOAFFKASA-N
XLogP6.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.26
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
CID 4287283
(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
N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 4565641
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2276931
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064
2-cyano-N-(2,5-dichlorophenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enamide
CID 3314211
(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 6261301
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide (CID 6526443) is (E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide is O=C(Nc1cc(Cl)ccc1Cl)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide?
The InChIKey is LMKLSWJOWGUQDO-QGOAFFKASA-N. The full InChI is InChI=1S/C21H15Cl2NO/c22-17-11-12-19(23)20(14-17)24-21(25)18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-14H,(H,24,25)/b18-13+.
What are the key properties of (E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide?
(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide has a molecular weight of 368.26 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 6526443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).