(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide

C13H12ClNO3 — CID 10423007

IUPAC(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide
SMILESC=CCNC(=O)C(=O)/C=C(\O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO3/c1-2-7-15-13(18)12(17)8-11(16)9-3-5-10(14)6-4-9/h2-6,8,16H,1,7H2,(H,15,18)/b11-8-
InChIKeyUJAIKTQLHFOKOG-FLIBITNWSA-N
MW265.70 g/mol
LogP2.11
Rot. Bonds5

About (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide

(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide (PubChem CID 10423007) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide.

Molecular Properties

Compound Name(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide
PubChem CID10423007
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide
SMILESC=CCNC(=O)C(=O)/C=C(\O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO3/c1-2-7-15-13(18)12(17)8-11(16)9-3-5-10(14)6-4-9/h2-6,8,16H,1,7H2,(H,15,18)/b11-8-
InChIKeyUJAIKTQLHFOKOG-FLIBITNWSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-benzyl-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide
CID 6995762
methyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate;hydrate
CID 45047648
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
4-(4-Chlorophenyl)-2-hydroxy-4-oxo-but-2-enoic acid ethyl ester lithium salt
CID 86594818
N-[4-(acetylsulfamoyl)phenyl]-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide
CID 98085738
1-[3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]-3-prop-2-enylurea
CID 86044533
1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea
CID 141195800
4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide
CID 4882562
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-chloro-2-methyl-N-prop-2-enylbenzamide
CID 103775370
4-chloro-3-fluoro-N-prop-2-enylbenzamide
CID 103875478

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide?
The IUPAC name of (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide (CID 10423007) is (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide.
What is the SMILES notation for (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide?
The canonical SMILES for (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide is C=CCNC(=O)C(=O)/C=C(\O)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide?
The InChIKey is UJAIKTQLHFOKOG-FLIBITNWSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-2-7-15-13(18)12(17)8-11(16)9-3-5-10(14)6-4-9/h2-6,8,16H,1,7H2,(H,15,18)/b11-8-.
What are the key properties of (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide?
(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide has a molecular weight of 265.70 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N-prop-2-enylbut-3-enamide is sourced from PubChem (CID 10423007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).