3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C18H17F3N2O3 — CID 46214033

IUPAC3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2ccc(O)cc2O)C1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)12-1-3-13(4-2-12)22-17(26)23-8-7-11(10-23)15-6-5-14(24)9-16(15)25/h1-6,9,11,24-25H,7-8,10H2,(H,22,26)
InChIKeyWVYGDSNXQVXASX-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.14
Rot. Bonds2

About 3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 46214033) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID46214033
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2ccc(O)cc2O)C1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)12-1-3-13(4-2-12)22-17(26)23-8-7-11(10-23)15-6-5-14(24)9-16(15)25/h1-6,9,11,24-25H,7-8,10H2,(H,22,26)
InChIKeyWVYGDSNXQVXASX-UHFFFAOYSA-N
XLogP4.14
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 46214033) is 3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2ccc(O)cc2O)C1.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is WVYGDSNXQVXASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)12-1-3-13(4-2-12)22-17(26)23-8-7-11(10-23)15-6-5-14(24)9-16(15)25/h1-6,9,11,24-25H,7-8,10H2,(H,22,26).
What are the key properties of 3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 46214033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).