N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide

C23H23FN2O3 — CID 45244523

IUPACN-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN1Cc1ccc(CO)o1
InChIInChI=1S/C23H23FN2O3/c24-18-4-1-3-17(13-18)16-6-8-19(9-7-16)25-23(28)22-5-2-12-26(22)14-20-10-11-21(15-27)29-20/h1,3-4,6-11,13,22,27H,2,5,12,14-15H2,(H,25,28)
InChIKeyLTBSBAQCCUHNAJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.18
Rot. Bonds6

About N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide

N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 45244523) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID45244523
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN1Cc1ccc(CO)o1
InChIInChI=1S/C23H23FN2O3/c24-18-4-1-3-17(13-18)16-6-8-19(9-7-16)25-23(28)22-5-2-12-26(22)14-20-10-11-21(15-27)29-20/h1,3-4,6-11,13,22,27H,2,5,12,14-15H2,(H,25,28)
InChIKeyLTBSBAQCCUHNAJ-UHFFFAOYSA-N
XLogP4.18
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide (CID 45244523) is N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN1Cc1ccc(CO)o1.
What is the InChIKey of N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is LTBSBAQCCUHNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-18-4-1-3-17(13-18)16-6-8-19(9-7-16)25-23(28)22-5-2-12-26(22)14-20-10-11-21(15-27)29-20/h1,3-4,6-11,13,22,27H,2,5,12,14-15H2,(H,25,28).
What are the key properties of N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45244523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).