2-(2-bromo-6-chloro-4-fluoroanilino)propanamide

C9H9BrClFN2O — CID 107611552

IUPAC2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
SMILESCC(Nc1c(Cl)cc(F)cc1Br)C(N)=O
InChIInChI=1S/C9H9BrClFN2O/c1-4(9(13)15)14-8-6(10)2-5(12)3-7(8)11/h2-4,14H,1H3,(H2,13,15)
InChIKeyPPSGGTNDGFRNFB-UHFFFAOYSA-N
MW295.54 g/mol
LogP2.53
Rot. Bonds3

About 2-(2-bromo-6-chloro-4-fluoroanilino)propanamide

2-(2-bromo-6-chloro-4-fluoroanilino)propanamide (PubChem CID 107611552) has the molecular formula C9H9BrClFN2O and a molecular weight of 295.54 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
PubChem CID107611552
Molecular FormulaC9H9BrClFN2O
Molecular Weight295.54 g/mol
Exact Mass293.96
IUPAC Name2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
SMILESCC(Nc1c(Cl)cc(F)cc1Br)C(N)=O
InChIInChI=1S/C9H9BrClFN2O/c1-4(9(13)15)14-8-6(10)2-5(12)3-7(8)11/h2-4,14H,1H3,(H2,13,15)
InChIKeyPPSGGTNDGFRNFB-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.54
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
CID 107610495
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 107615200
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149
2-bromo-N-but-3-yn-2-yl-6-chloro-4-fluoroaniline
CID 107611249
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide
CID 83081905
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377
2-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]-4-methylphenol
CID 107610158
2-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]-5-methylphenol
CID 107610722

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)propanamide?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)propanamide (CID 107611552) is 2-(2-bromo-6-chloro-4-fluoroanilino)propanamide.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluoroanilino)propanamide?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluoroanilino)propanamide is CC(Nc1c(Cl)cc(F)cc1Br)C(N)=O.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluoroanilino)propanamide?
The InChIKey is PPSGGTNDGFRNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClFN2O/c1-4(9(13)15)14-8-6(10)2-5(12)3-7(8)11/h2-4,14H,1H3,(H2,13,15).
What are the key properties of 2-(2-bromo-6-chloro-4-fluoroanilino)propanamide?
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide has a molecular weight of 295.54 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-fluoroanilino)propanamide is sourced from PubChem (CID 107611552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).