2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide

C17H16BrNO — CID 716250

IUPAC2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)C(Br)=Cc2ccccc2)c(C)c1
InChIInChI=1S/C17H16BrNO/c1-12-8-9-16(13(2)10-12)19-17(20)15(18)11-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)
InChIKeyRSMMEFDSWCVURK-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.68
Rot. Bonds3

About 2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide

2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide (PubChem CID 716250) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
PubChem CID716250
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)C(Br)=Cc2ccccc2)c(C)c1
InChIInChI=1S/C17H16BrNO/c1-12-8-9-16(13(2)10-12)19-17(20)15(18)11-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)
InChIKeyRSMMEFDSWCVURK-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
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

2-benzylidene-N,N'-bis(2,4-dimethylphenyl)propanediamide
CID 7972340
(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide
CID 716265
(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide
CID 101189502
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide
CID 7972356
(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1191949
(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
CID 19174131
2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide
CID 1192016
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9030674
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
(Z)-3-(4-chlorophenyl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 2359124

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of 2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide (CID 716250) is 2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for 2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for 2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide is Cc1ccc(NC(=O)C(Br)=Cc2ccccc2)c(C)c1.
What is the InChIKey of 2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide?
The InChIKey is RSMMEFDSWCVURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-12-8-9-16(13(2)10-12)19-17(20)15(18)11-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide?
2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide has a molecular weight of 330.23 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 716250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).