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

C13H16BrFN2O — CID 28574766

IUPAC2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
SMILESO=C(CNc1ccc(Br)cc1F)NC1CCCC1
InChIInChI=1S/C13H16BrFN2O/c14-9-5-6-12(11(15)7-9)16-8-13(18)17-10-3-1-2-4-10/h5-7,10,16H,1-4,8H2,(H,17,18)
InChIKeyQELOBIUXGFOMKP-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.06
Rot. Bonds4

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

2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide (PubChem CID 28574766) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
PubChem CID28574766
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
SMILESO=C(CNc1ccc(Br)cc1F)NC1CCCC1
InChIInChI=1S/C13H16BrFN2O/c14-9-5-6-12(11(15)7-9)16-8-13(18)17-10-3-1-2-4-10/h5-7,10,16H,1-4,8H2,(H,17,18)
InChIKeyQELOBIUXGFOMKP-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-(2,4-difluoroanilino)acetamide
CID 28582841
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
N-cyclohexyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815906
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
CID 61063574
N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597
2-(4-bromo-2-carbamothioylanilino)-N-cyclopropylacetamide
CID 114891372
2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide
CID 63099891
N-cyclopentyl-2-(2,6-difluoroanilino)acetamide
CID 28879037

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide (CID 28574766) is 2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide is O=C(CNc1ccc(Br)cc1F)NC1CCCC1.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide?
The InChIKey is QELOBIUXGFOMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-9-5-6-12(11(15)7-9)16-8-13(18)17-10-3-1-2-4-10/h5-7,10,16H,1-4,8H2,(H,17,18).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide?
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide has a molecular weight of 315.19 g/mol, XLogP of 3.06, 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-cyclopentylacetamide is sourced from PubChem (CID 28574766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).