3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide

C17H18N2O3 — CID 46214031

IUPAC3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(c2ccc(O)cc2O)C1
InChIInChI=1S/C17H18N2O3/c20-14-6-7-15(16(21)10-14)12-8-9-19(11-12)17(22)18-13-4-2-1-3-5-13/h1-7,10,12,20-21H,8-9,11H2,(H,18,22)
InChIKeyNSLXWHXVMWPSMD-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.12
Rot. Bonds2

About 3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide

3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide (PubChem CID 46214031) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide
PubChem CID46214031
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(c2ccc(O)cc2O)C1
InChIInChI=1S/C17H18N2O3/c20-14-6-7-15(16(21)10-14)12-8-9-19(11-12)17(22)18-13-4-2-1-3-5-13/h1-7,10,12,20-21H,8-9,11H2,(H,18,22)
InChIKeyNSLXWHXVMWPSMD-UHFFFAOYSA-N
XLogP3.12
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.12
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-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide (CID 46214031) is 3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(c2ccc(O)cc2O)C1.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is NSLXWHXVMWPSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-14-6-7-15(16(21)10-14)12-8-9-19(11-12)17(22)18-13-4-2-1-3-5-13/h1-7,10,12,20-21H,8-9,11H2,(H,18,22).
What are the key properties of 3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide?
3-(2,4-dihydroxyphenyl)-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 3.12, 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-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 46214031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).