(E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one

C15H10Cl2FNO — CID 6035639

IUPAC(E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2FNO/c16-10-1-6-13(14(17)9-10)15(20)7-8-19-12-4-2-11(18)3-5-12/h1-9,19H/b8-7+
InChIKeyKNAFDZAQTLRAJK-BQYQJAHWSA-N
MW310.16 g/mol
LogP4.94
Rot. Bonds4

About (E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one

(E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one (PubChem CID 6035639) has the molecular formula C15H10Cl2FNO and a molecular weight of 310.16 g/mol. Its IUPAC name is (E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one
PubChem CID6035639
Molecular FormulaC15H10Cl2FNO
Molecular Weight310.16 g/mol
Exact Mass309.01
IUPAC Name(E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2FNO/c16-10-1-6-13(14(17)9-10)15(20)7-8-19-12-4-2-11(18)3-5-12/h1-9,19H/b8-7+
InChIKeyKNAFDZAQTLRAJK-BQYQJAHWSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.94
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

(E)-1-(2,4-dichlorophenyl)-3-(4-iodoanilino)prop-2-en-1-one
CID 126195891
3-[3,5-bis(trifluoromethyl)anilino]-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 3830084
(E)-1-(2,4-dichlorophenyl)-3-(2,6-dimethylanilino)prop-2-en-1-one
CID 2244087
(E)-1-(2,4-dichlorophenyl)-3-(2-methoxyanilino)prop-2-en-1-one
CID 126182433
(E)-1-(2,4-dichlorophenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 27191231
1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 3291293
(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 18531911
(E)-1-(2,4-dichlorophenyl)-3-(4-hydroxy-2-methylanilino)prop-2-en-1-one
CID 126106903
1-(2,4-dichlorophenyl)-3-(2-hydroxy-5-methylanilino)prop-2-en-1-one
CID 889011
1-(2,4-dichlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 3396457
(E)-3-(4-fluoroanilino)prop-2-enoic acid
CID 103234514
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 5025678

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one (CID 6035639) is (E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one is O=C(/C=C/Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one?
The InChIKey is KNAFDZAQTLRAJK-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H10Cl2FNO/c16-10-1-6-13(14(17)9-10)15(20)7-8-19-12-4-2-11(18)3-5-12/h1-9,19H/b8-7+.
What are the key properties of (E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one?
(E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one has a molecular weight of 310.16 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one is sourced from PubChem (CID 6035639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).