propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate

C11H13BrFNO2 — CID 107635818

IUPACpropan-2-yl 2-(2-bromo-5-fluoroanilino)acetate
SMILESCC(C)OC(=O)CNc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO2/c1-7(2)16-11(15)6-14-10-5-8(13)3-4-9(10)12/h3-5,7,14H,6H2,1-2H3
InChIKeyVLQCIYOZCXHEMB-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.95
Rot. Bonds4

About propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate

propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate (PubChem CID 107635818) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-bromo-5-fluoroanilino)acetate
PubChem CID107635818
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Namepropan-2-yl 2-(2-bromo-5-fluoroanilino)acetate
SMILESCC(C)OC(=O)CNc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO2/c1-7(2)16-11(15)6-14-10-5-8(13)3-4-9(10)12/h3-5,7,14H,6H2,1-2H3
InChIKeyVLQCIYOZCXHEMB-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103750652
2-(2-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113319310
propan-2-yl 2-(3-bromo-4-methylanilino)acetate
CID 63333938
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
3-(2-bromo-5-fluoroanilino)propanoic acid
CID 107635600
tert-butyl N-[2-(2-bromo-5-fluoroanilino)propyl]carbamate
CID 107632654
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
CID 107635577
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate
CID 166658006
1-[2-(2-bromo-5-fluoroanilino)acetyl]piperidine-4-carboxylic acid
CID 107636652

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate?
The IUPAC name of propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate (CID 107635818) is propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate?
The canonical SMILES for propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate is CC(C)OC(=O)CNc1cc(F)ccc1Br.
What is the InChIKey of propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate?
The InChIKey is VLQCIYOZCXHEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-7(2)16-11(15)6-14-10-5-8(13)3-4-9(10)12/h3-5,7,14H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate?
propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate has a molecular weight of 290.13 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate is sourced from PubChem (CID 107635818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).