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

C15H18FNO3 — CID 60662542

IUPAC2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccccc2F)CCCC1
InChIInChI=1S/C15H18FNO3/c16-11-5-1-2-6-12(11)17-13(18)9-15(10-14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20)
InChIKeyYLGTXPKJACJLHL-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.19
Rot. Bonds5

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

2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 60662542) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID60662542
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccccc2F)CCCC1
InChIInChI=1S/C15H18FNO3/c16-11-5-1-2-6-12(11)17-13(18)9-15(10-14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20)
InChIKeyYLGTXPKJACJLHL-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 61403615
2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81164735
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 31616843
2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 103750559
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[1-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 2813232
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-methyl-3-nitroanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 39729008
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537333

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid (CID 60662542) is 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)Nc2ccccc2F)CCCC1.
What is the InChIKey of 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is YLGTXPKJACJLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-11-5-1-2-6-12(11)17-13(18)9-15(10-14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 279.31 g/mol, XLogP of 3.19, 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-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 60662542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).