methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate

C15H15F4NO3 — CID 119048405

IUPACmethyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cccc(C(F)(F)F)c2F)C1
InChIInChI=1S/C15H15F4NO3/c1-23-14(22)8-5-6-9(7-8)20-13(21)10-3-2-4-11(12(10)16)15(17,18)19/h2-4,8-9H,5-7H2,1H3,(H,20,21)
InChIKeyWSIDTNHXPWLCTM-UHFFFAOYSA-N
MW333.28 g/mol
LogP2.92
Rot. Bonds3

About methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate

methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate (PubChem CID 119048405) has the molecular formula C15H15F4NO3 and a molecular weight of 333.28 g/mol. Its IUPAC name is methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate
PubChem CID119048405
Molecular FormulaC15H15F4NO3
Molecular Weight333.28 g/mol
Exact Mass333.10
IUPAC Namemethyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cccc(C(F)(F)F)c2F)C1
InChIInChI=1S/C15H15F4NO3/c1-23-14(22)8-5-6-9(7-8)20-13(21)10-3-2-4-11(12(10)16)15(17,18)19/h2-4,8-9H,5-7H2,1H3,(H,20,21)
InChIKeyWSIDTNHXPWLCTM-UHFFFAOYSA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate 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 methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate (CID 119048405) is methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2cccc(C(F)(F)F)c2F)C1.
What is the InChIKey of methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate?
The InChIKey is WSIDTNHXPWLCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NO3/c1-23-14(22)8-5-6-9(7-8)20-13(21)10-3-2-4-11(12(10)16)15(17,18)19/h2-4,8-9H,5-7H2,1H3,(H,20,21).
What are the key properties of methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate?
methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate has a molecular weight of 333.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 119048405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).