N-(2,6-dibromophenyl)propanamide

C9H9Br2NO — CID 103863189

IUPACN-(2,6-dibromophenyl)propanamide
SMILESCCC(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C9H9Br2NO/c1-2-8(13)12-9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyFQCQFDJMUIKFTG-UHFFFAOYSA-N
MW306.99 g/mol
LogP3.56
Rot. Bonds2

About N-(2,6-dibromophenyl)propanamide

N-(2,6-dibromophenyl)propanamide (PubChem CID 103863189) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)propanamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)propanamide
PubChem CID103863189
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC NameN-(2,6-dibromophenyl)propanamide
SMILESCCC(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C9H9Br2NO/c1-2-8(13)12-9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyFQCQFDJMUIKFTG-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dibromophenyl)-3-sulfanylpropanamide
CID 107604205
N-(3-bromo-2-fluorophenyl)propanamide
CID 167203980
3-(2,6-dibromophenyl)-1-ethyl-1-methylurea
CID 103867576
(3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide
CID 107602387
3-[(2,6-dibromophenyl)carbamoylamino]pentanoic acid
CID 107601726
2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
CID 107599693
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
N-(2-bromo-6-fluorophenyl)-2-ethoxyacetamide
CID 71859325
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 126588301
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide
CID 107599748

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)propanamide?
The IUPAC name of N-(2,6-dibromophenyl)propanamide (CID 103863189) is N-(2,6-dibromophenyl)propanamide.
What is the SMILES notation for N-(2,6-dibromophenyl)propanamide?
The canonical SMILES for N-(2,6-dibromophenyl)propanamide is CCC(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)propanamide?
The InChIKey is FQCQFDJMUIKFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO/c1-2-8(13)12-9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-(2,6-dibromophenyl)propanamide?
N-(2,6-dibromophenyl)propanamide has a molecular weight of 306.99 g/mol, XLogP of 3.56, 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)propanamide is sourced from PubChem (CID 103863189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).