N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide

C19H17BrN2O — CID 3965385

IUPACN-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(C=C(C#N)C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C19H17BrN2O/c1-13(2)15-9-7-14(8-10-15)11-16(12-21)19(23)22-18-6-4-3-5-17(18)20/h3-11,13H,1-2H3,(H,22,23)
InChIKeyMFGSTVBIJYRUEN-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.12
Rot. Bonds4

About N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide

N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 3965385) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID3965385
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC NameN-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(C=C(C#N)C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C19H17BrN2O/c1-13(2)15-9-7-14(8-10-15)11-16(12-21)19(23)22-18-6-4-3-5-17(18)20/h3-11,13H,1-2H3,(H,22,23)
InChIKeyMFGSTVBIJYRUEN-UHFFFAOYSA-N
XLogP5.12
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-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

N-(2-chlorophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4083791
(E)-N-(2-bromo-4-ethylphenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 53268116
(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
CID 730579
(E)-N-(4-bromo-2-methylphenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19227280
N-(3-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2790438
(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 903040
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 92896782
(E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 19169428
N-(2-bromophenyl)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 3361468
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-bromophenyl)-2-cyanoprop-2-enamide
CID 2885439
2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4983165
(Z)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 2461727

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 3965385) is N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(C=C(C#N)C(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is MFGSTVBIJYRUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c1-13(2)15-9-7-14(8-10-15)11-16(12-21)19(23)22-18-6-4-3-5-17(18)20/h3-11,13H,1-2H3,(H,22,23).
What are the key properties of N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 369.26 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 3965385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).