N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C22H25FN2O2 — CID 45230149

IUPACN-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN1C1CCOCC1
InChIInChI=1S/C22H25FN2O2/c23-18-8-6-16(7-9-18)17-3-1-4-19(15-17)24-22(26)21-5-2-12-25(21)20-10-13-27-14-11-20/h1,3-4,6-9,15,20-21H,2,5,10-14H2,(H,24,26)
InChIKeyNIBCXBHAWWBXIK-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.07
Rot. Bonds4

About N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 45230149) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID45230149
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN1C1CCOCC1
InChIInChI=1S/C22H25FN2O2/c23-18-8-6-16(7-9-18)17-3-1-4-19(15-17)24-22(26)21-5-2-12-25(21)20-10-13-27-14-11-20/h1,3-4,6-9,15,20-21H,2,5,10-14H2,(H,24,26)
InChIKeyNIBCXBHAWWBXIK-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 45230149) is N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN1C1CCOCC1.
What is the InChIKey of N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is NIBCXBHAWWBXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-18-8-6-16(7-9-18)17-3-1-4-19(15-17)24-22(26)21-5-2-12-25(21)20-10-13-27-14-11-20/h1,3-4,6-9,15,20-21H,2,5,10-14H2,(H,24,26).
What are the key properties of N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45230149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).