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

C14H18BrFN2O — CID 43088713

IUPAC2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
SMILESCC(Nc1ccc(Br)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C14H18BrFN2O/c1-9(14(19)18-11-4-2-3-5-11)17-13-7-6-10(15)8-12(13)16/h6-9,11,17H,2-5H2,1H3,(H,18,19)
InChIKeyXVVXDIIIANSEGD-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.45
Rot. Bonds4

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

2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide (PubChem CID 43088713) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
PubChem CID43088713
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
SMILESCC(Nc1ccc(Br)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C14H18BrFN2O/c1-9(14(19)18-11-4-2-3-5-11)17-13-7-6-10(15)8-12(13)16/h6-9,11,17H,2-5H2,1H3,(H,18,19)
InChIKeyXVVXDIIIANSEGD-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
CID 102853387
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide
CID 113406572
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
N-cyclopentyl-2-(2,3-difluoroanilino)propanamide
CID 61074672
2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 43116655
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate
CID 9387980
2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide
CID 175431192
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide (CID 43088713) is 2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide is CC(Nc1ccc(Br)cc1F)C(=O)NC1CCCC1.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide?
The InChIKey is XVVXDIIIANSEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-9(14(19)18-11-4-2-3-5-11)17-13-7-6-10(15)8-12(13)16/h6-9,11,17H,2-5H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide?
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide has a molecular weight of 329.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 43088713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).