(Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide

C15H11Cl2NOS — CID 139085756

IUPAC(Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide
SMILESO/C(=C\C(=S)Nc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2NOS/c16-10-6-7-12(13(17)8-10)14(19)9-15(20)18-11-4-2-1-3-5-11/h1-9,19H,(H,18,20)/b14-9-
InChIKeyUBHDLIRFESISBD-ZROIWOOFSA-N
MW324.23 g/mol
LogP5.33
Rot. Bonds3

About (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide

(Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide (PubChem CID 139085756) has the molecular formula C15H11Cl2NOS and a molecular weight of 324.23 g/mol. Its IUPAC name is (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide.

Molecular Properties

Compound Name(Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide
PubChem CID139085756
Molecular FormulaC15H11Cl2NOS
Molecular Weight324.23 g/mol
Exact Mass322.99
IUPAC Name(Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide
SMILESO/C(=C\C(=S)Nc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2NOS/c16-10-6-7-12(13(17)8-10)14(19)9-15(20)18-11-4-2-1-3-5-11/h1-9,19H,(H,18,20)/b14-9-
InChIKeyUBHDLIRFESISBD-ZROIWOOFSA-N
XLogP5.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.23
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229
(Z)-3-hydroxy-N-phenylbut-2-enethioamide
CID 137168826
4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3140696
2,4-dichloro-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17230375
2,4-dichloro-N-[3-[(2,2-diphenylacetyl)amino]phenyl]benzamide
CID 3385314
(E)-3-(methylamino)-N-phenylbut-2-enethioamide
CID 13010912
3-anilino-N-(4-methylphenyl)but-2-enethioamide
CID 71350568
(E)-3-(4-methylanilino)-N-phenylbut-2-enethioamide
CID 171977784
2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320601
N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide
CID 22781798
2,4-dichloro-N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17227923
2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939146

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide?
The IUPAC name of (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide (CID 139085756) is (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide.
What is the SMILES notation for (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide?
The canonical SMILES for (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide is O/C(=C\C(=S)Nc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide?
The InChIKey is UBHDLIRFESISBD-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H11Cl2NOS/c16-10-6-7-12(13(17)8-10)14(19)9-15(20)18-11-4-2-1-3-5-11/h1-9,19H,(H,18,20)/b14-9-.
What are the key properties of (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide?
(Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide has a molecular weight of 324.23 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide is sourced from PubChem (CID 139085756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).