(Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one

C15H10Cl3NO — CID 20786873

IUPAC(Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C\Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO/c16-11-2-1-3-12(9-11)19-7-6-15(20)10-4-5-13(17)14(18)8-10/h1-9,19H/b7-6-
InChIKeyHNIPMLFYBGJMKQ-SREVYHEPSA-N
MW326.61 g/mol
LogP5.46
Rot. Bonds4

About (Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one

(Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one (PubChem CID 20786873) has the molecular formula C15H10Cl3NO and a molecular weight of 326.61 g/mol. Its IUPAC name is (Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
PubChem CID20786873
Molecular FormulaC15H10Cl3NO
Molecular Weight326.61 g/mol
Exact Mass324.98
IUPAC Name(Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C\Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO/c16-11-2-1-3-12(9-11)19-7-6-15(20)10-4-5-13(17)14(18)8-10/h1-9,19H/b7-6-
InChIKeyHNIPMLFYBGJMKQ-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-acetylanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 5350578
(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one
CID 18531505
(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 18531911
(Z)-3-(3-chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 98392202
(E)-3-(1,3-benzodioxol-5-ylamino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 882611
(E)-1-(4-butoxyphenyl)-3-(3-chloroanilino)prop-2-en-1-one
CID 51045711
4-[[3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1345083
(E)-4-(3,4-dichlorophenyl)-4-oxobut-2-enoic acid
CID 6172511
3-(4-chloro-3-nitroanilino)-1-phenylprop-2-en-1-one
CID 879389
3-[4-chloro-3-(trifluoromethyl)anilino]-1-phenylprop-2-en-1-one
CID 886075
(E)-3-(3-chloro-4-fluoroanilino)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 46858517
ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one
CID 145409740

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one (CID 20786873) is (Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one is O=C(/C=C\Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one?
The InChIKey is HNIPMLFYBGJMKQ-SREVYHEPSA-N. The full InChI is InChI=1S/C15H10Cl3NO/c16-11-2-1-3-12(9-11)19-7-6-15(20)10-4-5-13(17)14(18)8-10/h1-9,19H/b7-6-.
What are the key properties of (Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one?
(Z)-3-(3-chloroanilino)-1-(3,4-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-(3,4-dichlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 20786873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).