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

C11H9BrN2O2 — CID 54677686

IUPAC(Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide
SMILESC/C(O)=C(\C#N)C(=O)Nc1ccccc1Br
InChIInChI=1S/C11H9BrN2O2/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-
InChIKeyFGNAGCKSKFEDHY-FPLPWBNLSA-N
MW281.11 g/mol
LogP2.74
Rot. Bonds2

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

(Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide (PubChem CID 54677686) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is (Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide
PubChem CID54677686
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name(Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide
SMILESC/C(O)=C(\C#N)C(=O)Nc1ccccc1Br
InChIInChI=1S/C11H9BrN2O2/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-
InChIKeyFGNAGCKSKFEDHY-FPLPWBNLSA-N
XLogP2.74
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.74
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'}

Analyze (Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide
CID 54683944
(2-bromophenyl)carbamic acid
CID 15021878
(Z)-N-[2-chloro-4-(2-chlorophenyl)phenyl]-2-cyano-3-hydroxybut-2-enamide
CID 54727973
N-(5-bromo-2-pyridinyl)-2-cyano-3-hydroxybut-2-enamide
CID 67767763
(Z)-N-benzyl-2-cyano-3-hydroxybut-2-enamide
CID 67840001
N-(4-tert-butylphenyl)-2-cyano-3-hydroxybut-2-enamide
CID 67933363
N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 3965385
(Z)-N-(4-acetamidophenyl)-3-(2-bromoanilino)-2-cyanoprop-2-enamide
CID 108818839
(Z)-3-(2-bromoanilino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855375
(Z)-3-(2-bromoanilino)-2-cyano-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857240
3-[[(E)-2-cyano-3-hydroxybut-2-enoyl]amino]-1-benzofuran-2-carboxylic acid
CID 69068149
(Z)-4-cyano-5-(2,5-dibromoanilino)-3-hydroxy-5-oxopent-3-enoic acid
CID 54728569

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide?
The IUPAC name of (Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide (CID 54677686) is (Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide.
What is the SMILES notation for (Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide?
The canonical SMILES for (Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide is C/C(O)=C(\C#N)C(=O)Nc1ccccc1Br.
What is the InChIKey of (Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide?
The InChIKey is FGNAGCKSKFEDHY-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H9BrN2O2/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-bromophenyl)-2-cyano-3-hydroxybut-2-enamide?
(Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide has a molecular weight of 281.11 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-bromophenyl)-2-cyano-3-hydroxybut-2-enamide is sourced from PubChem (CID 54677686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).