N-(2,6-dibromophenyl)prop-2-enamide

C9H7Br2NO — CID 107598601

IUPACN-(2,6-dibromophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C9H7Br2NO/c1-2-8(13)12-9-6(10)4-3-5-7(9)11/h2-5H,1H2,(H,12,13)
InChIKeyRSUGUQYTMBKNOL-UHFFFAOYSA-N
MW304.97 g/mol
LogP3.34
Rot. Bonds2

About N-(2,6-dibromophenyl)prop-2-enamide

N-(2,6-dibromophenyl)prop-2-enamide (PubChem CID 107598601) has the molecular formula C9H7Br2NO and a molecular weight of 304.97 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)prop-2-enamide
PubChem CID107598601
Molecular FormulaC9H7Br2NO
Molecular Weight304.97 g/mol
Exact Mass302.89
IUPAC NameN-(2,6-dibromophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C9H7Br2NO/c1-2-8(13)12-9-6(10)4-3-5-7(9)11/h2-5H,1H2,(H,12,13)
InChIKeyRSUGUQYTMBKNOL-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.97
LogP ≤ 53.34
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

3-chloro-2-(prop-2-enoylamino)benzoic acid
CID 107047054
N-(2,6-dibromophenyl)propanamide
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N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
N-[2-ethenyl-6-(trifluoromethyl)phenyl]prop-2-enamide
CID 24895741
N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787
N-(2,6-dibromophenyl)-3-sulfanylpropanamide
CID 107604205
2-amino-N-(2,6-dibromophenyl)propanamide
CID 12546848
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254
3-(2,6-dibromophenyl)-1-ethyl-1-methylurea
CID 103867576
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide
CID 151343471
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)prop-2-enamide?
The IUPAC name of N-(2,6-dibromophenyl)prop-2-enamide (CID 107598601) is N-(2,6-dibromophenyl)prop-2-enamide.
What is the SMILES notation for N-(2,6-dibromophenyl)prop-2-enamide?
The canonical SMILES for N-(2,6-dibromophenyl)prop-2-enamide is C=CC(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)prop-2-enamide?
The InChIKey is RSUGUQYTMBKNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2NO/c1-2-8(13)12-9-6(10)4-3-5-7(9)11/h2-5H,1H2,(H,12,13).
What are the key properties of N-(2,6-dibromophenyl)prop-2-enamide?
N-(2,6-dibromophenyl)prop-2-enamide has a molecular weight of 304.97 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)prop-2-enamide is sourced from PubChem (CID 107598601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).