2-(2-bromoanilino)-N-carbamoylpropanamide

C10H12BrN3O2 — CID 43083796

IUPAC2-(2-bromoanilino)-N-carbamoylpropanamide
SMILESCC(Nc1ccccc1Br)C(=O)NC(N)=O
InChIInChI=1S/C10H12BrN3O2/c1-6(9(15)14-10(12)16)13-8-5-3-2-4-7(8)11/h2-6,13H,1H3,(H3,12,14,15,16)
InChIKeyFLQJCIYKHLPEIF-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.44
Rot. Bonds3

About 2-(2-bromoanilino)-N-carbamoylpropanamide

2-(2-bromoanilino)-N-carbamoylpropanamide (PubChem CID 43083796) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-carbamoylpropanamide
PubChem CID43083796
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-(2-bromoanilino)-N-carbamoylpropanamide
SMILESCC(Nc1ccccc1Br)C(=O)NC(N)=O
InChIInChI=1S/C10H12BrN3O2/c1-6(9(15)14-10(12)16)13-8-5-3-2-4-7(8)11/h2-6,13H,1H3,(H3,12,14,15,16)
InChIKeyFLQJCIYKHLPEIF-UHFFFAOYSA-N
XLogP1.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-N-phenylpropanamide
CID 43083790
N-carbamoyl-2-(2-cyanoanilino)propanamide
CID 43086096
N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide
CID 43089308
2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
CID 17413409
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide
CID 55118208
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
2-(2-bromophenyl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 24527832
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
2-(2-bromoanilino)-N'-methylbutanediamide
CID 66426720
2-(2-bromoanilino)-2-(2-bromophenyl)acetamide
CID 54892174
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-carbamoylpropanamide?
The IUPAC name of 2-(2-bromoanilino)-N-carbamoylpropanamide (CID 43083796) is 2-(2-bromoanilino)-N-carbamoylpropanamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-carbamoylpropanamide?
The canonical SMILES for 2-(2-bromoanilino)-N-carbamoylpropanamide is CC(Nc1ccccc1Br)C(=O)NC(N)=O.
What is the InChIKey of 2-(2-bromoanilino)-N-carbamoylpropanamide?
The InChIKey is FLQJCIYKHLPEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-6(9(15)14-10(12)16)13-8-5-3-2-4-7(8)11/h2-6,13H,1H3,(H3,12,14,15,16).
What are the key properties of 2-(2-bromoanilino)-N-carbamoylpropanamide?
2-(2-bromoanilino)-N-carbamoylpropanamide has a molecular weight of 286.13 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-carbamoylpropanamide is sourced from PubChem (CID 43083796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).