2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide

C12H16BrN3O — CID 113406572

IUPAC2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(Br)cc1N)C(=O)NC1CC1
InChIInChI=1S/C12H16BrN3O/c1-7(12(17)16-9-3-4-9)15-11-5-2-8(13)6-10(11)14/h2,5-7,9,15H,3-4,14H2,1H3,(H,16,17)
InChIKeyQPOPEKYGHORKNU-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide

2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide (PubChem CID 113406572) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide
PubChem CID113406572
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(Br)cc1N)C(=O)NC1CC1
InChIInChI=1S/C12H16BrN3O/c1-7(12(17)16-9-3-4-9)15-11-5-2-8(13)6-10(11)14/h2,5-7,9,15H,3-4,14H2,1H3,(H,16,17)
InChIKeyQPOPEKYGHORKNU-UHFFFAOYSA-N
XLogP2.11
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81280708
N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126368
N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
2-[(8-amino-3-methylisoquinolin-5-yl)amino]-N-cyclopropylpropanamide
CID 102713604
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
4-bromo-1-N-[1-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 89287580
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
3-amino-4-[[(2R)-butan-2-yl]amino]-N-cyclopropylbenzamide
CID 100619856
N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide?
The IUPAC name of 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide (CID 113406572) is 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide is CC(Nc1ccc(Br)cc1N)C(=O)NC1CC1.
What is the InChIKey of 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide?
The InChIKey is QPOPEKYGHORKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-7(12(17)16-9-3-4-9)15-11-5-2-8(13)6-10(11)14/h2,5-7,9,15H,3-4,14H2,1H3,(H,16,17).
What are the key properties of 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide?
2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide has a molecular weight of 298.18 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 113406572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).