2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide

C11H14BrFN2O — CID 43119470

IUPAC2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O/c1-3-14-11(16)7(2)15-10-5-4-8(13)6-9(10)12/h4-7,15H,3H2,1-2H3,(H,14,16)
InChIKeyYRNMZDLDLBMIMU-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide

2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide (PubChem CID 43119470) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
PubChem CID43119470
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O/c1-3-14-11(16)7(2)15-10-5-4-8(13)6-9(10)12/h4-7,15H,3H2,1-2H3,(H,14,16)
InChIKeyYRNMZDLDLBMIMU-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 43119467
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113611
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
2-(2-bromo-4-methylanilino)-N-butylpropanamide
CID 43113797
4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2,3-difluorobenzoic acid
CID 79838478
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
(2S)-2-[(2-bromo-4-fluorophenyl)carbamoylamino]propanoic acid
CID 78967831

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide?
The IUPAC name of 2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide (CID 43119470) is 2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide?
The InChIKey is YRNMZDLDLBMIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-3-14-11(16)7(2)15-10-5-4-8(13)6-9(10)12/h4-7,15H,3H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide?
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide has a molecular weight of 289.15 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide is sourced from PubChem (CID 43119470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).