N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide

C14H16BrNO — CID 60636157

IUPACN-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO/c1-3-4-5-6-14(17)16(2)11-12-7-9-13(15)10-8-12/h3-10H,11H2,1-2H3
InChIKeyJMFXKQRNMLVAFY-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.54
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide

N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide (PubChem CID 60636157) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide
PubChem CID60636157
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO/c1-3-4-5-6-14(17)16(2)11-12-7-9-13(15)10-8-12/h3-10H,11H2,1-2H3
InChIKeyJMFXKQRNMLVAFY-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide
CID 102603438
(2E,4E)-N-[(4-bromothiophen-2-yl)methyl]-N-methylhexa-2,4-dienamide
CID 55028857
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
CID 78906847
(E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide
CID 18292787
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264
(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide
CID 110481075
(2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide
CID 110461207
N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 60731305
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-(2-aminoethyl)-N-methylhexa-2,4-dienamide
CID 76954139

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide (CID 60636157) is N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide is CC=CC=CC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide?
The InChIKey is JMFXKQRNMLVAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-3-4-5-6-14(17)16(2)11-12-7-9-13(15)10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide?
N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide has a molecular weight of 294.19 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide is sourced from PubChem (CID 60636157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).