2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide

C9H10BrCl2N3O — CID 107791301

IUPAC2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide
SMILESNC(=O)C(N)CNc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C9H10BrCl2N3O/c10-4-1-2-6(8(12)7(4)11)15-3-5(13)9(14)16/h1-2,5,15H,3,13H2,(H2,14,16)
InChIKeyIPQYIPBRVYNIFJ-UHFFFAOYSA-N
MW327.01 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide

2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide (PubChem CID 107791301) has the molecular formula C9H10BrCl2N3O and a molecular weight of 327.01 g/mol. Its IUPAC name is 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide
PubChem CID107791301
Molecular FormulaC9H10BrCl2N3O
Molecular Weight327.01 g/mol
Exact Mass324.94
IUPAC Name2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide
SMILESNC(=O)C(N)CNc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C9H10BrCl2N3O/c10-4-1-2-6(8(12)7(4)11)15-3-5(13)9(14)16/h1-2,5,15H,3,13H2,(H2,14,16)
InChIKeyIPQYIPBRVYNIFJ-UHFFFAOYSA-N
XLogP1.98
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.01
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide 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-amino-3-(2-chloro-3-methylanilino)propanamide
CID 130495827
3-(4-bromo-2,3-dichloroanilino)-2-methylpropan-1-ol
CID 104589244
4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide
CID 104589264
2-amino-3-(2,3,4-trifluoroanilino)propanamide
CID 103232798
2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide
CID 103268919
2-amino-3-(4-bromo-3-methylanilino)propanamide
CID 103232914
2-amino-3-(2,6-dichloroanilino)propanamide
CID 103252602
3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide
CID 114001852
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol
CID 107788903
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 114001833
ethyl 2-[(4-bromo-2,3-dichloroanilino)methyl]prop-2-enoate
CID 107791312

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide?
The IUPAC name of 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide (CID 107791301) is 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide.
What is the SMILES notation for 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide?
The canonical SMILES for 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide is NC(=O)C(N)CNc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide?
The InChIKey is IPQYIPBRVYNIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl2N3O/c10-4-1-2-6(8(12)7(4)11)15-3-5(13)9(14)16/h1-2,5,15H,3,13H2,(H2,14,16).
What are the key properties of 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide?
2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide has a molecular weight of 327.01 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide is sourced from PubChem (CID 107791301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).