2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid

C18H24FNO4 — CID 122109763

IUPAC2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid
SMILESCCOCCC1(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CCCC1
InChIInChI=1S/C18H24FNO4/c1-2-24-10-9-18(7-3-4-8-18)17(23)20-14-6-5-13(11-16(21)22)15(19)12-14/h5-6,12H,2-4,7-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyVFKDOJQNWGHDSX-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.38
Rot. Bonds8

About 2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid

2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid (PubChem CID 122109763) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid
PubChem CID122109763
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid
SMILESCCOCCC1(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CCCC1
InChIInChI=1S/C18H24FNO4/c1-2-24-10-9-18(7-3-4-8-18)17(23)20-14-6-5-13(11-16(21)22)15(19)12-14/h5-6,12H,2-4,7-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyVFKDOJQNWGHDSX-UHFFFAOYSA-N
XLogP3.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613
2-[4-[(1-cyanocyclopentanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109738
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 122109940
3-[[1-(2-ethoxyethyl)cyclobutanecarbonyl]amino]-4-methylbenzoic acid
CID 120522310
N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide
CID 164882968
2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 122109787
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
CID 122110010
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654
5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
CID 115434908

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid (CID 122109763) is 2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid is CCOCCC1(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CCCC1.
What is the InChIKey of 2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid?
The InChIKey is VFKDOJQNWGHDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-2-24-10-9-18(7-3-4-8-18)17(23)20-14-6-5-13(11-16(21)22)15(19)12-14/h5-6,12H,2-4,7-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid?
2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid has a molecular weight of 337.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-ethoxyethyl)cyclopentanecarbonyl]amino]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 122109763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).