2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide

C11H13Br2N3O2 — CID 54955172

IUPAC2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H13Br2N3O2/c1-6(10(17)16-11(18)14-2)15-9-5-7(12)3-4-8(9)13/h3-6,15H,1-2H3,(H2,14,16,17,18)
InChIKeyFSWFKGIHFCMHPA-UHFFFAOYSA-N
MW379.05 g/mol
LogP2.47
Rot. Bonds3

About 2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide

2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 54955172) has the molecular formula C11H13Br2N3O2 and a molecular weight of 379.05 g/mol. Its IUPAC name is 2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide
PubChem CID54955172
Molecular FormulaC11H13Br2N3O2
Molecular Weight379.05 g/mol
Exact Mass376.94
IUPAC Name2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H13Br2N3O2/c1-6(10(17)16-11(18)14-2)15-9-5-7(12)3-4-8(9)13/h3-6,15H,1-2H3,(H2,14,16,17,18)
InChIKeyFSWFKGIHFCMHPA-UHFFFAOYSA-N
XLogP2.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dibromoanilino)-N-prop-2-ynylpropanamide
CID 54955276
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
2-(2,5-dibromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 54955580
2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43385595
2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
2-(2-amino-5-bromophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79533451
1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea
CID 51945845
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide (CID 54955172) is 2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Nc1cc(Br)ccc1Br.
What is the InChIKey of 2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is FSWFKGIHFCMHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O2/c1-6(10(17)16-11(18)14-2)15-9-5-7(12)3-4-8(9)13/h3-6,15H,1-2H3,(H2,14,16,17,18).
What are the key properties of 2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide?
2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 379.05 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 54955172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).