2-amino-N-(4-bromo-2-fluorophenyl)propanamide

C9H10BrFN2O — CID 24708230

IUPAC2-amino-N-(4-bromo-2-fluorophenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O/c1-5(12)9(14)13-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3,(H,13,14)
InChIKeyPCDJZOUCKLEJIL-UHFFFAOYSA-N
MW261.09 g/mol
LogP1.87
Rot. Bonds2

About 2-amino-N-(4-bromo-2-fluorophenyl)propanamide

2-amino-N-(4-bromo-2-fluorophenyl)propanamide (PubChem CID 24708230) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-fluorophenyl)propanamide
PubChem CID24708230
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name2-amino-N-(4-bromo-2-fluorophenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O/c1-5(12)9(14)13-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3,(H,13,14)
InChIKeyPCDJZOUCKLEJIL-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
3-(4-bromo-2-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897183
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
CID 107611709
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-fluorophenyl)propanamide?
The IUPAC name of 2-amino-N-(4-bromo-2-fluorophenyl)propanamide (CID 24708230) is 2-amino-N-(4-bromo-2-fluorophenyl)propanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-fluorophenyl)propanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-fluorophenyl)propanamide is CC(N)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-amino-N-(4-bromo-2-fluorophenyl)propanamide?
The InChIKey is PCDJZOUCKLEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-5(12)9(14)13-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(4-bromo-2-fluorophenyl)propanamide?
2-amino-N-(4-bromo-2-fluorophenyl)propanamide has a molecular weight of 261.09 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-fluorophenyl)propanamide is sourced from PubChem (CID 24708230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).