3-(2-bromo-6-chloro-4-fluoroanilino)propanamide

C9H9BrClFN2O — CID 107611377

IUPAC3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
SMILESNC(=O)CCNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C9H9BrClFN2O/c10-6-3-5(12)4-7(11)9(6)14-2-1-8(13)15/h3-4,14H,1-2H2,(H2,13,15)
InChIKeyJMMVUMNEJWHZKC-UHFFFAOYSA-N
MW295.54 g/mol
LogP2.53
Rot. Bonds4

About 3-(2-bromo-6-chloro-4-fluoroanilino)propanamide

3-(2-bromo-6-chloro-4-fluoroanilino)propanamide (PubChem CID 107611377) has the molecular formula C9H9BrClFN2O and a molecular weight of 295.54 g/mol. Its IUPAC name is 3-(2-bromo-6-chloro-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
PubChem CID107611377
Molecular FormulaC9H9BrClFN2O
Molecular Weight295.54 g/mol
Exact Mass293.96
IUPAC Name3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
SMILESNC(=O)CCNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C9H9BrClFN2O/c10-6-3-5(12)4-7(11)9(6)14-2-1-8(13)15/h3-4,14H,1-2H2,(H2,13,15)
InChIKeyJMMVUMNEJWHZKC-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

3-(2-chloro-4,6-dimethylanilino)propanamide
CID 82081050
tert-butyl N-[3-(2-bromo-6-chloro-4-fluoroanilino)propyl]carbamate
CID 107610574
4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
CID 107611393
3-(3,5-dichloro-4-fluoroanilino)propanamide
CID 107573902
methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
CID 83079052
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide
CID 104878297
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
CID 107612048
(2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107829611

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-chloro-4-fluoroanilino)propanamide?
The IUPAC name of 3-(2-bromo-6-chloro-4-fluoroanilino)propanamide (CID 107611377) is 3-(2-bromo-6-chloro-4-fluoroanilino)propanamide.
What is the SMILES notation for 3-(2-bromo-6-chloro-4-fluoroanilino)propanamide?
The canonical SMILES for 3-(2-bromo-6-chloro-4-fluoroanilino)propanamide is NC(=O)CCNc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 3-(2-bromo-6-chloro-4-fluoroanilino)propanamide?
The InChIKey is JMMVUMNEJWHZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClFN2O/c10-6-3-5(12)4-7(11)9(6)14-2-1-8(13)15/h3-4,14H,1-2H2,(H2,13,15).
What are the key properties of 3-(2-bromo-6-chloro-4-fluoroanilino)propanamide?
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide has a molecular weight of 295.54 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-chloro-4-fluoroanilino)propanamide is sourced from PubChem (CID 107611377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).