(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide

C13H14BrNO — CID 55027801

IUPAC(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C13H14BrNO/c1-3-4-5-6-13(16)15-11-8-7-10(2)12(14)9-11/h3-9H,1-2H3,(H,15,16)/b4-3+,6-5+
InChIKeyFUOUDSLXXKBRJA-VNKDHWASSA-N
MW280.17 g/mol
LogP3.83
Rot. Bonds3

About (2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide

(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide (PubChem CID 55027801) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is (2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
PubChem CID55027801
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C13H14BrNO/c1-3-4-5-6-13(16)15-11-8-7-10(2)12(14)9-11/h3-9H,1-2H3,(H,15,16)/b4-3+,6-5+
InChIKeyFUOUDSLXXKBRJA-VNKDHWASSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
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-(4-bromo-3-fluorophenyl)hexa-2,4-dienamide
CID 77069173
[2-(3-bromo-4-methylanilino)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7779268
4-[[(4E)-hexa-2,4-dienoyl]amino]-2-methylbenzoic acid
CID 154810509
(E)-N-(3-bromo-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552549
(E)-3-(4-aminophenyl)-N-(3-bromo-4-methylphenyl)prop-2-enamide
CID 84553975
(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide
CID 97377775
4-[(E)-3-(3-bromo-4-methylanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300748
(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
CID 26664564
(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
CID 47143172
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
[2-(3-bromo-4-methylanilino)-2-oxoethyl] (E)-but-2-enoate
CID 7699265
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide (CID 55027801) is (2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of (2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide?
The InChIKey is FUOUDSLXXKBRJA-VNKDHWASSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-3-4-5-6-13(16)15-11-8-7-10(2)12(14)9-11/h3-9H,1-2H3,(H,15,16)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide?
(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide has a molecular weight of 280.17 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 55027801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).