3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide

C17H16BrNO — CID 4256749

IUPAC3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C17H16BrNO/c1-12-3-9-16(13(2)11-12)19-17(20)10-6-14-4-7-15(18)8-5-14/h3-11H,1-2H3,(H,19,20)
InChIKeyOWSHMLBGOIPDPG-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.72
Rot. Bonds3

About 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide

3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide (PubChem CID 4256749) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
PubChem CID4256749
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C17H16BrNO/c1-12-3-9-16(13(2)11-12)19-17(20)10-6-14-4-7-15(18)8-5-14/h3-11H,1-2H3,(H,19,20)
InChIKeyOWSHMLBGOIPDPG-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 17341892
(E)-3-(4-bromophenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 896371
(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244061
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
(E)-3-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)prop-2-enamide
CID 82757480
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867709
3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
CID 897837
(E)-N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2600144
N-[(2,4-dimethylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 920780
N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 1186028

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide (CID 4256749) is 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide is Cc1ccc(NC(=O)C=Cc2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide?
The InChIKey is OWSHMLBGOIPDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-12-3-9-16(13(2)11-12)19-17(20)10-6-14-4-7-15(18)8-5-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide?
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide has a molecular weight of 330.23 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 4256749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).