(Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one

C17H15Cl2NO — CID 18528061

IUPAC(Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(C(=O)/C=C\Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO/c1-2-12-3-5-13(6-4-12)17(21)9-10-20-16-8-7-14(18)11-15(16)19/h3-11,20H,2H2,1H3/b10-9-
InChIKeyBEIGEJAIBJTLFJ-KTKRTIGZSA-N
MW320.22 g/mol
LogP5.36
Rot. Bonds5

About (Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one

(Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one (PubChem CID 18528061) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one
PubChem CID18528061
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(C(=O)/C=C\Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO/c1-2-12-3-5-13(6-4-12)17(21)9-10-20-16-8-7-14(18)11-15(16)19/h3-11,20H,2H2,1H3/b10-9-
InChIKeyBEIGEJAIBJTLFJ-KTKRTIGZSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.36
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

3-(4-bromo-2-fluoroanilino)-1-(4-ethylphenyl)prop-2-en-1-one
CID 4012700
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one
CID 4654270
methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate
CID 134105159
1-(4-ethylphenyl)-3-(4-fluoro-3-methylanilino)prop-2-en-1-one
CID 3564341
4-[[3-(4-ethylphenyl)-3-oxoprop-1-enyl]amino]benzoic acid
CID 890469
(E)-3-(4-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6188155
3-(4-chloro-2-hydroxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 870858
methyl 4-[[(Z)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 98670386
3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 876362
3-(5-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 799053
(Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 18527574
ethyl 4-[[3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 781815

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one (CID 18528061) is (Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one is CCc1ccc(C(=O)/C=C\Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one?
The InChIKey is BEIGEJAIBJTLFJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-2-12-3-5-13(6-4-12)17(21)9-10-20-16-8-7-14(18)11-15(16)19/h3-11,20H,2H2,1H3/b10-9-.
What are the key properties of (Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one?
(Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one has a molecular weight of 320.22 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 18528061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).