2-(2-bromoanilino)propanamide

C9H11BrN2O — CID 43083798

IUPAC2-(2-bromoanilino)propanamide
SMILESCC(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C9H11BrN2O/c1-6(9(11)13)12-8-5-3-2-4-7(8)10/h2-6,12H,1H3,(H2,11,13)
InChIKeyWWAUUHZVURYQLE-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.73
Rot. Bonds3

About 2-(2-bromoanilino)propanamide

2-(2-bromoanilino)propanamide (PubChem CID 43083798) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-(2-bromoanilino)propanamide.

Molecular Properties

Compound Name2-(2-bromoanilino)propanamide
PubChem CID43083798
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-(2-bromoanilino)propanamide
SMILESCC(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C9H11BrN2O/c1-6(9(11)13)12-8-5-3-2-4-7(8)10/h2-6,12H,1H3,(H2,11,13)
InChIKeyWWAUUHZVURYQLE-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)propanamide?
The IUPAC name of 2-(2-bromoanilino)propanamide (CID 43083798) is 2-(2-bromoanilino)propanamide.
What is the SMILES notation for 2-(2-bromoanilino)propanamide?
The canonical SMILES for 2-(2-bromoanilino)propanamide is CC(Nc1ccccc1Br)C(N)=O.
What is the InChIKey of 2-(2-bromoanilino)propanamide?
The InChIKey is WWAUUHZVURYQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(9(11)13)12-8-5-3-2-4-7(8)10/h2-6,12H,1H3,(H2,11,13).
What are the key properties of 2-(2-bromoanilino)propanamide?
2-(2-bromoanilino)propanamide has a molecular weight of 243.10 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)propanamide is sourced from PubChem (CID 43083798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).