(Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide

C10H7BrN2O — CID 142584939

IUPAC(Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide
SMILESN#CNC(=O)/C=C\c1ccccc1Br
InChIInChI=1S/C10H7BrN2O/c11-9-4-2-1-3-8(9)5-6-10(14)13-7-12/h1-6H,(H,13,14)/b6-5-
InChIKeyKAIOJXGVCULSLE-WAYWQWQTSA-N
MW251.08 g/mol
LogP2.06
Rot. Bonds2

About (Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide

(Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide (PubChem CID 142584939) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is (Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide
PubChem CID142584939
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name(Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide
SMILESN#CNC(=O)/C=C\c1ccccc1Br
InChIInChI=1S/C10H7BrN2O/c11-9-4-2-1-3-8(9)5-6-10(14)13-7-12/h1-6H,(H,13,14)/b6-5-
InChIKeyKAIOJXGVCULSLE-WAYWQWQTSA-N
XLogP2.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(2-bromophenyl)-N-cyanoprop-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

(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
CID 18170609
N-[3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]phenyl]-2-cyanoacetamide
CID 108922817
(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321
3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide
CID 76988022
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
2-[4-[(E)-3-(2-bromophenyl)prop-2-enoyl]phenoxy]acetonitrile
CID 6215169
(E)-3-(2-bromophenyl)-N-(2-ethylsulfonylethyl)prop-2-enamide
CID 51108653
(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 26358362
(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide
CID 34830510
(E)-3-(2-bromophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 65037251

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide (CID 142584939) is (Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide is N#CNC(=O)/C=C\c1ccccc1Br.
What is the InChIKey of (Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide?
The InChIKey is KAIOJXGVCULSLE-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-9-4-2-1-3-8(9)5-6-10(14)13-7-12/h1-6H,(H,13,14)/b6-5-.
What are the key properties of (Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide?
(Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide has a molecular weight of 251.08 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide is sourced from PubChem (CID 142584939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).