2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide

C11H11BrF4N2O — CID 107599310

IUPAC2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1c(F)cccc1Br)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H11BrF4N2O/c1-6(10(19)17-5-11(14,15)16)18-9-7(12)3-2-4-8(9)13/h2-4,6,18H,5H2,1H3,(H,17,19)
InChIKeyBBVRDMVUACLFKL-UHFFFAOYSA-N
MW343.12 g/mol
LogP3.07
Rot. Bonds4

About 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide

2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107599310) has the molecular formula C11H11BrF4N2O and a molecular weight of 343.12 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107599310
Molecular FormulaC11H11BrF4N2O
Molecular Weight343.12 g/mol
Exact Mass342.00
IUPAC Name2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1c(F)cccc1Br)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H11BrF4N2O/c1-6(10(19)17-5-11(14,15)16)18-9-7(12)3-2-4-8(9)13/h2-4,6,18H,5H2,1H3,(H,17,19)
InChIKeyBBVRDMVUACLFKL-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)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-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107599421
2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide
CID 107599321
tert-butyl 2-(2-bromo-6-fluoroanilino)propanoate
CID 107599303
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570045
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 107598645
(2S)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088120
(2R)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088122
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570006
2-[3-(hydroxymethyl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 110877911

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide (CID 107599310) is 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide is CC(Nc1c(F)cccc1Br)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is BBVRDMVUACLFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF4N2O/c1-6(10(19)17-5-11(14,15)16)18-9-7(12)3-2-4-8(9)13/h2-4,6,18H,5H2,1H3,(H,17,19).
What are the key properties of 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 343.12 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107599310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).