N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide

C12H11BrFNO — CID 103753396

IUPACN-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H11BrFNO/c1-2-3-4-5-12(16)15-11-8-9(14)6-7-10(11)13/h2-8H,1H3,(H,15,16)
InChIKeyKOOIJUMNTNYKNO-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.66
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide

N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide (PubChem CID 103753396) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide
PubChem CID103753396
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC NameN-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H11BrFNO/c1-2-3-4-5-12(16)15-11-8-9(14)6-7-10(11)13/h2-8H,1H3,(H,15,16)
InChIKeyKOOIJUMNTNYKNO-UHFFFAOYSA-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

(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
CID 43134311
(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
CID 33068846
N-(4-bromo-3-fluorophenyl)hexa-2,4-dienamide
CID 77069173
3-bromo-4-(hexa-2,4-dienoylamino)benzoic acid
CID 77034280
(2-bromo-5-fluorophenyl)urea
CID 99639427
3-(2-bromo-5-fluorophenyl)-1,1-dimethylurea
CID 103755890
N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide
CID 130674064
(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
CID 55027801
N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76943432
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 72688712
(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 81271763

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide (CID 103753396) is N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide is CC=CC=CC(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide?
The InChIKey is KOOIJUMNTNYKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-2-3-4-5-12(16)15-11-8-9(14)6-7-10(11)13/h2-8H,1H3,(H,15,16).
What are the key properties of N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide?
N-(2-bromo-5-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 N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide is sourced from PubChem (CID 103753396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).