(Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide

C19H17BrN2O — CID 126240561

IUPAC(Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(Br)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H17BrN2O/c20-18-10-8-16(9-11-18)13-17(14-21)19(23)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,23)/b17-13-
InChIKeyZQIOCFJKANRHHM-LGMDPLHJSA-N
MW369.26 g/mol
LogP4.11
Rot. Bonds6

About (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide

(Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide (PubChem CID 126240561) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide
PubChem CID126240561
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name(Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(Br)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H17BrN2O/c20-18-10-8-16(9-11-18)13-17(14-21)19(23)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,23)/b17-13-
InChIKeyZQIOCFJKANRHHM-LGMDPLHJSA-N
XLogP4.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)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

(Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126246844
(Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-(3-phenylpropyl)prop-2-enamide
CID 126247855
(Z)-3-[4-(2-anilino-2-oxoethoxy)phenyl]-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126235463
(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126240476
2-[4-bromo-2-[(Z)-2-cyano-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]phenoxy]acetic acid
CID 126258330
(Z)-3-[3-bromo-4-[(2S)-butan-2-yl]oxyphenyl]-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126227891
4-[[2-bromo-4-[(Z)-2-cyano-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]phenoxy]methyl]benzoic acid
CID 126227665
(Z)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126236058
(Z)-2-cyano-3-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(3-phenylpropyl)prop-2-enamide
CID 126254199
(Z)-3-(3-bromo-5-chloro-4-phenylmethoxyphenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126234330
methyl 4-[2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]benzoate
CID 2892674
(Z)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126238297

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide (CID 126240561) is (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide is N#C/C(=C/c1ccc(Br)cc1)C(=O)NCCCc1ccccc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide?
The InChIKey is ZQIOCFJKANRHHM-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H17BrN2O/c20-18-10-8-16(9-11-18)13-17(14-21)19(23)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,23)/b17-13-.
What are the key properties of (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide?
(Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide has a molecular weight of 369.26 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 126240561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).