2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid

C16H18F3NO3 — CID 3716796

IUPAC2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C16H18F3NO3/c17-16(18,19)11-3-5-12(6-4-11)20-13(21)9-15(10-14(22)23)7-1-2-8-15/h3-6H,1-2,7-10H2,(H,20,21)(H,22,23)
InChIKeyHRJNUKJWFNXOCP-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.07
Rot. Bonds5

About 2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid (PubChem CID 3716796) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid
PubChem CID3716796
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C16H18F3NO3/c17-16(18,19)11-3-5-12(6-4-11)20-13(21)9-15(10-14(22)23)7-1-2-8-15/h3-6H,1-2,7-10H2,(H,20,21)(H,22,23)
InChIKeyHRJNUKJWFNXOCP-UHFFFAOYSA-N
XLogP4.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid (CID 3716796) is 2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid?
The InChIKey is HRJNUKJWFNXOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c17-16(18,19)11-3-5-12(6-4-11)20-13(21)9-15(10-14(22)23)7-1-2-8-15/h3-6H,1-2,7-10H2,(H,20,21)(H,22,23).
What are the key properties of 2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid has a molecular weight of 329.32 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 3716796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).