2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide

C19H18F3NO2 — CID 18006320

IUPAC2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO2/c20-19(21,22)25-15-10-8-13(9-11-15)12-4-6-14(7-5-12)16-2-1-3-17(16)18(23)24/h4-11,16-17H,1-3H2,(H2,23,24)
InChIKeyFYKGQOLDKGSHGA-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.62
Rot. Bonds4

About 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide

2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide (PubChem CID 18006320) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide
PubChem CID18006320
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO2/c20-19(21,22)25-15-10-8-13(9-11-15)12-4-6-14(7-5-12)16-2-1-3-17(16)18(23)24/h4-11,16-17H,1-3H2,(H2,23,24)
InChIKeyFYKGQOLDKGSHGA-UHFFFAOYSA-N
XLogP4.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide (CID 18006320) is 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide is NC(=O)C1CCCC1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide?
The InChIKey is FYKGQOLDKGSHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c20-19(21,22)25-15-10-8-13(9-11-15)12-4-6-14(7-5-12)16-2-1-3-17(16)18(23)24/h4-11,16-17H,1-3H2,(H2,23,24).
What are the key properties of 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide?
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 18006320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).