(Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide

C11H11Cl2N3O2 — CID 135599740

IUPAC(Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1ccc(Cl)c(Cl)c1)=C(\C)O
InChIInChI=1S/C11H11Cl2N3O2/c1-6(17)10(11(18)14-2)16-15-7-3-4-8(12)9(13)5-7/h3-5,17H,1-2H3,(H,14,18)/b10-6-,16-15+
InChIKeyZUWBTCAIMWTRRG-WXNHPGFZSA-N
MW288.13 g/mol
LogP3.61
Rot. Bonds3

About (Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide

(Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide (PubChem CID 135599740) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is (Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
PubChem CID135599740
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name(Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1ccc(Cl)c(Cl)c1)=C(\C)O
InChIInChI=1S/C11H11Cl2N3O2/c1-6(17)10(11(18)14-2)16-15-7-3-4-8(12)9(13)5-7/h3-5,17H,1-2H3,(H,14,18)/b10-6-,16-15+
InChIKeyZUWBTCAIMWTRRG-WXNHPGFZSA-N
XLogP3.61
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N,4,4-trimethylpent-2-enamide
CID 137304129
(E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
CID 137179746
(E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
CID 135624061
ethyl 2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135466685
(E)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 137208393
(Z)-3-[(3-chlorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135868221
(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one
CID 177384143
(Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide
CID 135526817
(Z)-1-cyclopropyl-2-[(3,4-dichlorophenyl)diazenyl]-4,4,4-trifluoro-3-hydroxybut-2-en-1-one
CID 137279087
1,2-dichloro-4-isocyanatobenzene;N-methylmethanamine
CID 88839912
(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135672253
4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid
CID 21276031

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
The IUPAC name of (Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide (CID 135599740) is (Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
The canonical SMILES for (Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide is CNC(=O)C(/N=N/c1ccc(Cl)c(Cl)c1)=C(\C)O.
What is the InChIKey of (Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
The InChIKey is ZUWBTCAIMWTRRG-WXNHPGFZSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c1-6(17)10(11(18)14-2)16-15-7-3-4-8(12)9(13)5-7/h3-5,17H,1-2H3,(H,14,18)/b10-6-,16-15+.
What are the key properties of (Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
(Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide has a molecular weight of 288.13 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide is sourced from PubChem (CID 135599740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).