5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide

C17H12Cl3NO — CID 4147233

IUPAC5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide
SMILESO=C(C=CC=Cc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl3NO/c18-13-10-15(20)16(11-14(13)19)21-17(22)9-5-4-8-12-6-2-1-3-7-12/h1-11H,(H,21,22)
InChIKeySWIUGJICMGHIIX-UHFFFAOYSA-N
MW352.65 g/mol
LogP5.85
Rot. Bonds4

About 5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide

5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide (PubChem CID 4147233) has the molecular formula C17H12Cl3NO and a molecular weight of 352.65 g/mol. Its IUPAC name is 5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide
PubChem CID4147233
Molecular FormulaC17H12Cl3NO
Molecular Weight352.65 g/mol
Exact Mass351.00
IUPAC Name5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide
SMILESO=C(C=CC=Cc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl3NO/c18-13-10-15(20)16(11-14(13)19)21-17(22)9-5-4-8-12-6-2-1-3-7-12/h1-11H,(H,21,22)
InChIKeySWIUGJICMGHIIX-UHFFFAOYSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 55.85
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide
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(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 874240
4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide
CID 1228214
2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
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(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide
CID 570382
5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 23292129
(Z)-4-[(3-chloro-9,10-dioxoanthracen-2-yl)amino]-4-oxobut-2-enoic acid
CID 18877481

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide?
The IUPAC name of 5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide (CID 4147233) is 5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide.
What is the SMILES notation for 5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide?
The canonical SMILES for 5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide is O=C(C=CC=Cc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide?
The InChIKey is SWIUGJICMGHIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3NO/c18-13-10-15(20)16(11-14(13)19)21-17(22)9-5-4-8-12-6-2-1-3-7-12/h1-11H,(H,21,22).
What are the key properties of 5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide?
5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide has a molecular weight of 352.65 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide is sourced from PubChem (CID 4147233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).