2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide

C9H10BrF2N3O — CID 103268919

IUPAC2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide
SMILESNC(=O)C(N)CNc1cc(Br)c(F)cc1F
InChIInChI=1S/C9H10BrF2N3O/c10-4-1-8(6(12)2-5(4)11)15-3-7(13)9(14)16/h1-2,7,15H,3,13H2,(H2,14,16)
InChIKeyOJXBJSMQFUBIGR-UHFFFAOYSA-N
MW294.10 g/mol
LogP0.95
Rot. Bonds4

About 2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide

2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide (PubChem CID 103268919) has the molecular formula C9H10BrF2N3O and a molecular weight of 294.10 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide
PubChem CID103268919
Molecular FormulaC9H10BrF2N3O
Molecular Weight294.10 g/mol
Exact Mass293.00
IUPAC Name2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide
SMILESNC(=O)C(N)CNc1cc(Br)c(F)cc1F
InChIInChI=1S/C9H10BrF2N3O/c10-4-1-8(6(12)2-5(4)11)15-3-7(13)9(14)16/h1-2,7,15H,3,13H2,(H2,14,16)
InChIKeyOJXBJSMQFUBIGR-UHFFFAOYSA-N
XLogP0.95
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2,5-difluoroanilino)propanamide
CID 103232837
2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 102847113
(2S)-3-(5-bromo-2,4-difluoroanilino)propane-1,2-diol
CID 102853500
2-amino-3-(2,3,4-trifluoroanilino)propanamide
CID 103232798
2-amino-3-(4-bromo-5-fluoro-2-methylanilino)propanoic acid
CID 103267499
3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
CID 106166702
3-(5-bromo-2,4-difluoroanilino)propanoic acid
CID 102853464
2-(5-bromo-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 102847112
2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide
CID 102853712
5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
CID 102853196
5-bromo-2,4-difluoro-N-(2-methylpentyl)aniline
CID 102852837
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide?
The IUPAC name of 2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide (CID 103268919) is 2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide.
What is the SMILES notation for 2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide?
The canonical SMILES for 2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide is NC(=O)C(N)CNc1cc(Br)c(F)cc1F.
What is the InChIKey of 2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide?
The InChIKey is OJXBJSMQFUBIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N3O/c10-4-1-8(6(12)2-5(4)11)15-3-7(13)9(14)16/h1-2,7,15H,3,13H2,(H2,14,16).
What are the key properties of 2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide?
2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide has a molecular weight of 294.10 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide is sourced from PubChem (CID 103268919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).