(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide

C12H11BrFNO — CID 43134311

IUPAC(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C12H11BrFNO/c1-2-3-4-5-12(16)15-11-7-6-9(14)8-10(11)13/h2-8H,1H3,(H,15,16)/b3-2+,5-4+
InChIKeyIQGWOHGBUUHIIU-MQQKCMAXSA-N
MW284.13 g/mol
LogP3.66
Rot. Bonds3

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

(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide (PubChem CID 43134311) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is (2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
PubChem CID43134311
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C12H11BrFNO/c1-2-3-4-5-12(16)15-11-7-6-9(14)8-10(11)13/h2-8H,1H3,(H,15,16)/b3-2+,5-4+
InChIKeyIQGWOHGBUUHIIU-MQQKCMAXSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.66
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-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide
CID 103753396
3-bromo-4-(hexa-2,4-dienoylamino)benzoic acid
CID 77034280
(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
CID 33068846
N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide
CID 43134331
N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide
CID 74868716
N-(4-bromo-3-fluorophenyl)hexa-2,4-dienamide
CID 77069173
(E)-N-(2-bromo-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47249112
(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
CID 81027410
(2-bromo-4-fluorophenyl)urea
CID 28939155
N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide
CID 43146418
(E)-3-(3-aminophenyl)-N-(2-bromo-4-fluorophenyl)prop-2-enamide
CID 115342735
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide (CID 43134311) is (2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of (2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide?
The InChIKey is IQGWOHGBUUHIIU-MQQKCMAXSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-2-3-4-5-12(16)15-11-7-6-9(14)8-10(11)13/h2-8H,1H3,(H,15,16)/b3-2+,5-4+.
What are the key properties of (2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide?
(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide has a molecular weight of 284.13 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide is sourced from PubChem (CID 43134311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).