2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid

C15H17BrFNO3 — CID 103750559

IUPAC2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2cc(F)ccc2Br)CCCC1
InChIInChI=1S/C15H17BrFNO3/c16-11-4-3-10(17)7-12(11)18-13(19)8-15(9-14(20)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,20,21)
InChIKeyAIYQTFJHHDEAEB-UHFFFAOYSA-N
MW358.21 g/mol
LogP3.95
Rot. Bonds5

About 2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 103750559) has the molecular formula C15H17BrFNO3 and a molecular weight of 358.21 g/mol. Its IUPAC name is 2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID103750559
Molecular FormulaC15H17BrFNO3
Molecular Weight358.21 g/mol
Exact Mass357.04
IUPAC Name2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2cc(F)ccc2Br)CCCC1
InChIInChI=1S/C15H17BrFNO3/c16-11-4-3-10(17)7-12(11)18-13(19)8-15(9-14(20)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,20,21)
InChIKeyAIYQTFJHHDEAEB-UHFFFAOYSA-N
XLogP3.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2-bromo-5-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 81260207
2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662604
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662542
5-(2-bromo-5-fluoroanilino)-5-oxopentanoic acid
CID 104573927
2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 17349282
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 8893573
1-[(2-bromo-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107629068
1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
CID 107625627
2-acetamido-N-(2-bromo-5-fluorophenyl)acetamide
CID 103753391
2-[1-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 61403615
1-[[(2-bromo-5-fluorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 107628973

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid (CID 103750559) is 2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)Nc2cc(F)ccc2Br)CCCC1.
What is the InChIKey of 2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is AIYQTFJHHDEAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO3/c16-11-4-3-10(17)7-12(11)18-13(19)8-15(9-14(20)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 358.21 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 103750559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).