3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide

C11H15BrFN3O — CID 66110342

IUPAC3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1cc(F)c(Br)cc1N
InChIInChI=1S/C11H15BrFN3O/c1-16(2)11(17)3-4-15-10-6-8(13)7(12)5-9(10)14/h5-6,15H,3-4,14H2,1-2H3
InChIKeyKWZPOUMHMWTHLM-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.06
Rot. Bonds4

About 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide

3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide (PubChem CID 66110342) has the molecular formula C11H15BrFN3O and a molecular weight of 304.16 g/mol. Its IUPAC name is 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
PubChem CID66110342
Molecular FormulaC11H15BrFN3O
Molecular Weight304.16 g/mol
Exact Mass303.04
IUPAC Name3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1cc(F)c(Br)cc1N
InChIInChI=1S/C11H15BrFN3O/c1-16(2)11(17)3-4-15-10-6-8(13)7(12)5-9(10)14/h5-6,15H,3-4,14H2,1-2H3
InChIKeyKWZPOUMHMWTHLM-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide 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

3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide
CID 106334547
2-(2-amino-4-bromo-5-fluoroanilino)acetamide
CID 66111662
4-bromo-1-N-[2-(diethylamino)ethyl]-5-fluorobenzene-1,2-diamine
CID 66111855
2-(2-amino-5-bromo-4-fluoroanilino)ethylurea
CID 116736207
4-bromo-1-N-(3-ethoxypropyl)-5-fluorobenzene-1,2-diamine
CID 66110295
5-(2-amino-4-bromo-5-fluoroanilino)pentan-2-ol
CID 106119811
N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
CID 116735517
3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
CID 61473010
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
4-bromo-5-fluoro-1-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 104758724
3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
CID 106166702

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide (CID 66110342) is 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1cc(F)c(Br)cc1N.
What is the InChIKey of 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide?
The InChIKey is KWZPOUMHMWTHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3O/c1-16(2)11(17)3-4-15-10-6-8(13)7(12)5-9(10)14/h5-6,15H,3-4,14H2,1-2H3.
What are the key properties of 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide?
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide has a molecular weight of 304.16 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 66110342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).