(Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one

C16H14ClNO2 — CID 877863

IUPAC(Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one
SMILESC/C(=C/C(=O)c1ccc(Cl)cc1)Nc1cccc(O)c1
InChIInChI=1S/C16H14ClNO2/c1-11(18-14-3-2-4-15(19)10-14)9-16(20)12-5-7-13(17)8-6-12/h2-10,18-19H,1H3/b11-9-
InChIKeySNEQASFEVWLKOJ-LUAWRHEFSA-N
MW287.75 g/mol
LogP4.24
Rot. Bonds4

About (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one

(Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one (PubChem CID 877863) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one
PubChem CID877863
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one
SMILESC/C(=C/C(=O)c1ccc(Cl)cc1)Nc1cccc(O)c1
InChIInChI=1S/C16H14ClNO2/c1-11(18-14-3-2-4-15(19)10-14)9-16(20)12-5-7-13(17)8-6-12/h2-10,18-19H,1H3/b11-9-
InChIKeySNEQASFEVWLKOJ-LUAWRHEFSA-N
XLogP4.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-hydroxyphenyl)benzamide
CID 3239831
Benzamide, N-(3-hydroxyphenyl)-
CID 836140
2-Chloro-N-(4-hydroxyphenyl)benzamide
CID 587567
3-(2-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539466
3-(4-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539472
2,4-dichloro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837212
3-(3-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539469
(2E)-3-(2-Chlorophenyl)-N-(3-hydroxyphenyl)acrylamide
CID 692606
1-(4-Chlorophenyl)-3-[(3-methoxyphenyl)amino]-2-propen-1-one
CID 2267292
1-(2,4-Dichloro-benzoyl)-3-(3-hydroxy-phenyl)-urea
CID 11709609
2-Chloro-3-(3-hydroxy-phenylamino)-[1,4]naphthoquinone
CID 4247627
7-Hydroxy-2-phenyl-1H-quinolin-4-one
CID 5466887

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one?
The IUPAC name of (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one (CID 877863) is (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one is C/C(=C/C(=O)c1ccc(Cl)cc1)Nc1cccc(O)c1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one?
The InChIKey is SNEQASFEVWLKOJ-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11(18-14-3-2-4-15(19)10-14)9-16(20)12-5-7-13(17)8-6-12/h2-10,18-19H,1H3/b11-9-.
What are the key properties of (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one?
(Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one has a molecular weight of 287.75 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one is sourced from PubChem (CID 877863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).