(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide

C11H9BrN2O — CID 82708502

IUPAC(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C11H9BrN2O/c1-2-3-11(15)14-10-5-4-9(12)6-8(10)7-13/h2-6H,1H3,(H,14,15)/b3-2+
InChIKeyJFQCSTGIHCHXGS-NSCUHMNNSA-N
MW265.11 g/mol
LogP2.84
Rot. Bonds2

About (E)-N-(4-bromo-2-cyanophenyl)but-2-enamide

(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide (PubChem CID 82708502) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-cyanophenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide
PubChem CID82708502
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C11H9BrN2O/c1-2-3-11(15)14-10-5-4-9(12)6-8(10)7-13/h2-6H,1H3,(H,14,15)/b3-2+
InChIKeyJFQCSTGIHCHXGS-NSCUHMNNSA-N
XLogP2.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(4-bromo-2-cyanoanilino)-4-oxobut-2-enoic acid
CID 82702737
(4-bromo-2-cyanophenyl)urea
CID 82708837
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
N-(5-bromo-2-chlorophenyl)but-2-enamide
CID 76977308
N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
CID 82708389
2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939
(E)-3-(4-bromo-2-cyanoanilino)prop-2-enoic acid
CID 103261886
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
CID 103020238
N-(4-bromo-2-cyanophenyl)-4-(methylamino)butanamide
CID 82707852
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-cyanophenyl)but-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-cyanophenyl)but-2-enamide (CID 82708502) is (E)-N-(4-bromo-2-cyanophenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-cyanophenyl)but-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-cyanophenyl)but-2-enamide is C/C=C/C(=O)Nc1ccc(Br)cc1C#N.
What is the InChIKey of (E)-N-(4-bromo-2-cyanophenyl)but-2-enamide?
The InChIKey is JFQCSTGIHCHXGS-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-2-3-11(15)14-10-5-4-9(12)6-8(10)7-13/h2-6H,1H3,(H,14,15)/b3-2+.
What are the key properties of (E)-N-(4-bromo-2-cyanophenyl)but-2-enamide?
(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide has a molecular weight of 265.11 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-2-cyanophenyl)but-2-enamide is sourced from PubChem (CID 82708502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).