N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide

C15H15F3N2O3 — CID 110015275

IUPACN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCCC2O)ccc1OCC(F)(F)F
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)8-23-13-5-4-10(6-9(13)7-19)20-14(22)11-2-1-3-12(11)21/h4-6,11-12,21H,1-3,8H2,(H,20,22)
InChIKeyYAZWQTLEINQNIN-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.60
Rot. Bonds4

About N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110015275) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110015275
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCCC2O)ccc1OCC(F)(F)F
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)8-23-13-5-4-10(6-9(13)7-19)20-14(22)11-2-1-3-12(11)21/h4-6,11-12,21H,1-3,8H2,(H,20,22)
InChIKeyYAZWQTLEINQNIN-UHFFFAOYSA-N
XLogP2.60
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide (CID 110015275) is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide is N#Cc1cc(NC(=O)C2CCCC2O)ccc1OCC(F)(F)F.
What is the InChIKey of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is YAZWQTLEINQNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c16-15(17,18)8-23-13-5-4-10(6-9(13)7-19)20-14(22)11-2-1-3-12(11)21/h4-6,11-12,21H,1-3,8H2,(H,20,22).
What are the key properties of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide?
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110015275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).