(Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide

C11H9ClN2O2 — CID 54683944

IUPAC(Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide
SMILESC/C(O)=C(\C#N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-7(15)8(6-13)11(16)14-10-5-3-2-4-9(10)12/h2-5,15H,1H3,(H,14,16)/b8-7-
InChIKeyFVIFMNWIOWSRAQ-FPLPWBNLSA-N
MW236.66 g/mol
LogP2.63
Rot. Bonds2

About (Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide

(Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide (PubChem CID 54683944) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is (Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide
PubChem CID54683944
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name(Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide
SMILESC/C(O)=C(\C#N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-7(15)8(6-13)11(16)14-10-5-3-2-4-9(10)12/h2-5,15H,1H3,(H,14,16)/b8-7-
InChIKeyFVIFMNWIOWSRAQ-FPLPWBNLSA-N
XLogP2.63
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[2-chloro-4-(2-chlorophenyl)phenyl]-2-cyano-3-hydroxybut-2-enamide
CID 54727973
(Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide
CID 54677686
(Z)-N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-cyano-3-hydroxybut-2-enamide
CID 54727974
4-(2-chloroanilino)-3-methyl-4-oxobut-2-enoic acid
CID 5056060
3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 5241148
(Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide
CID 108824386
(Z)-N-(2-chlorophenyl)-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108824317
N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108500274
(Z)-3-(2-acetamidoethylamino)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824512
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108824495
N-(4-tert-butylphenyl)-2-cyano-3-hydroxybut-2-enamide
CID 67933363
(Z)-N-benzyl-2-cyano-3-hydroxybut-2-enamide
CID 67840001

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide?
The IUPAC name of (Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide (CID 54683944) is (Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide.
What is the SMILES notation for (Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide?
The canonical SMILES for (Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide is C/C(O)=C(\C#N)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide?
The InChIKey is FVIFMNWIOWSRAQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7(15)8(6-13)11(16)14-10-5-3-2-4-9(10)12/h2-5,15H,1H3,(H,14,16)/b8-7-.
What are the key properties of (Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide?
(Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide has a molecular weight of 236.66 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide is sourced from PubChem (CID 54683944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).