2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid

C16H17F4NO3 — CID 166313151

IUPAC2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid
SMILESCC1CCC(CNC(=O)c2cc(F)c(F)c(F)c2F)(CC(=O)O)C1
InChIInChI=1S/C16H17F4NO3/c1-8-2-3-16(5-8,6-11(22)23)7-21-15(24)9-4-10(17)13(19)14(20)12(9)18/h4,8H,2-3,5-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyGMBDCDDSKJLUHG-UHFFFAOYSA-N
MW347.31 g/mol
LogP3.25
Rot. Bonds5

About 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid

2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid (PubChem CID 166313151) has the molecular formula C16H17F4NO3 and a molecular weight of 347.31 g/mol. Its IUPAC name is 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid
PubChem CID166313151
Molecular FormulaC16H17F4NO3
Molecular Weight347.31 g/mol
Exact Mass347.11
IUPAC Name2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid
SMILESCC1CCC(CNC(=O)c2cc(F)c(F)c(F)c2F)(CC(=O)O)C1
InChIInChI=1S/C16H17F4NO3/c1-8-2-3-16(5-8,6-11(22)23)7-21-15(24)9-4-10(17)13(19)14(20)12(9)18/h4,8H,2-3,5-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyGMBDCDDSKJLUHG-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid (CID 166313151) is 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid is CC1CCC(CNC(=O)c2cc(F)c(F)c(F)c2F)(CC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid?
The InChIKey is GMBDCDDSKJLUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4NO3/c1-8-2-3-16(5-8,6-11(22)23)7-21-15(24)9-4-10(17)13(19)14(20)12(9)18/h4,8H,2-3,5-7H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid?
2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid has a molecular weight of 347.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 166313151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).