2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide

C19H20BrNO — CID 1192016

IUPAC2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)C(Br)=Cc1ccccc1
InChIInChI=1S/C19H20BrNO/c1-3-15-11-8-12-16(4-2)18(15)21-19(22)17(20)13-14-9-6-5-7-10-14/h5-13H,3-4H2,1-2H3,(H,21,22)
InChIKeyBZAUMUIFEDPOFG-UHFFFAOYSA-N
MW358.28 g/mol
LogP5.19
Rot. Bonds5

About 2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide

2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide (PubChem CID 1192016) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide
PubChem CID1192016
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)C(Br)=Cc1ccccc1
InChIInChI=1S/C19H20BrNO/c1-3-15-11-8-12-16(4-2)18(15)21-19(22)17(20)13-14-9-6-5-7-10-14/h5-13H,3-4H2,1-2H3,(H,21,22)
InChIKeyBZAUMUIFEDPOFG-UHFFFAOYSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.28
LogP ≤ 55.19
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

N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide
CID 4065787
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
CID 126140872
2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 716250
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
(Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 716253
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
(Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide
CID 156785541
N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
CID 43315674
N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511372
(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1191949

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of 2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide (CID 1192016) is 2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for 2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for 2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide is CCc1cccc(CC)c1NC(=O)C(Br)=Cc1ccccc1.
What is the InChIKey of 2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide?
The InChIKey is BZAUMUIFEDPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO/c1-3-15-11-8-12-16(4-2)18(15)21-19(22)17(20)13-14-9-6-5-7-10-14/h5-13H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide?
2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide has a molecular weight of 358.28 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 1192016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).