(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one

C15H10Cl3NO — CID 18531911

IUPAC(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C\Nc1cccc(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl3NO/c16-10-2-1-3-12(8-10)19-7-6-15(20)13-9-11(17)4-5-14(13)18/h1-9,19H/b7-6-
InChIKeyVJJISQUFTXLNMZ-SREVYHEPSA-N
MW326.61 g/mol
LogP5.46
Rot. Bonds4

About (Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one

(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one (PubChem CID 18531911) has the molecular formula C15H10Cl3NO and a molecular weight of 326.61 g/mol. Its IUPAC name is (Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one
PubChem CID18531911
Molecular FormulaC15H10Cl3NO
Molecular Weight326.61 g/mol
Exact Mass324.98
IUPAC Name(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C\Nc1cccc(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl3NO/c16-10-2-1-3-12(8-10)19-7-6-15(20)13-9-11(17)4-5-14(13)18/h1-9,19H/b7-6-
InChIKeyVJJISQUFTXLNMZ-SREVYHEPSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 20786873
(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one
CID 18531505
(Z)-3-(3-chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 98392202
1-(2,5-dichlorophenyl)-3-hydroxyprop-2-en-1-one
CID 23719435
(E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
CID 7947589
(E)-1-(2,4-dichlorophenyl)-3-(4-iodoanilino)prop-2-en-1-one
CID 126195891
(E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one
CID 6035639
(E)-1-(2,4-dichlorophenyl)-3-(2,6-dimethylanilino)prop-2-en-1-one
CID 2244087
(E)-1-(4-butoxyphenyl)-3-(3-chloroanilino)prop-2-en-1-one
CID 51045711
3-[3,5-bis(trifluoromethyl)anilino]-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 3830084
(Z)-3-(3-acetylanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 5350578
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one (CID 18531911) is (Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one is O=C(/C=C\Nc1cccc(Cl)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one?
The InChIKey is VJJISQUFTXLNMZ-SREVYHEPSA-N. The full InChI is InChI=1S/C15H10Cl3NO/c16-10-2-1-3-12(8-10)19-7-6-15(20)13-9-11(17)4-5-14(13)18/h1-9,19H/b7-6-.
What are the key properties of (Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one?
(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one has a molecular weight of 326.61 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 18531911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).