N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide

C13H12F3N3O2 — CID 43703870

IUPACN-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(O)CN2)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)9-3-7(5-17)1-2-10(9)19-12(21)11-4-8(20)6-18-11/h1-3,8,11,18,20H,4,6H2,(H,19,21)
InChIKeyQFHQNJALZDJMDN-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.24
Rot. Bonds2

About N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide

N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43703870) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43703870
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(O)CN2)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)9-3-7(5-17)1-2-10(9)19-12(21)11-4-8(20)6-18-11/h1-3,8,11,18,20H,4,6H2,(H,19,21)
InChIKeyQFHQNJALZDJMDN-UHFFFAOYSA-N
XLogP1.24
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide (CID 43703870) is N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide is N#Cc1ccc(NC(=O)C2CC(O)CN2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is QFHQNJALZDJMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)9-3-7(5-17)1-2-10(9)19-12(21)11-4-8(20)6-18-11/h1-3,8,11,18,20H,4,6H2,(H,19,21).
What are the key properties of N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43703870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).