N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide

C23H25FN2O3 — CID 45222158

IUPACN-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C23H25FN2O3/c24-19-8-6-16(7-9-19)18-3-1-4-20(15-18)25-22(27)21-5-2-12-26(21)23(28)17-10-13-29-14-11-17/h1,3-4,6-9,15,17,21H,2,5,10-14H2,(H,25,27)
InChIKeyFVSJDNVJEUCQLY-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.85
Rot. Bonds4

About N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide

N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 45222158) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID45222158
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC NameN-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C23H25FN2O3/c24-19-8-6-16(7-9-19)18-3-1-4-20(15-18)25-22(27)21-5-2-12-26(21)23(28)17-10-13-29-14-11-17/h1,3-4,6-9,15,17,21H,2,5,10-14H2,(H,25,27)
InChIKeyFVSJDNVJEUCQLY-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.85
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-(oxane-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide (CID 45222158) is N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN1C(=O)C1CCOCC1.
What is the InChIKey of N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is FVSJDNVJEUCQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c24-19-8-6-16(7-9-19)18-3-1-4-20(15-18)25-22(27)21-5-2-12-26(21)23(28)17-10-13-29-14-11-17/h1,3-4,6-9,15,17,21H,2,5,10-14H2,(H,25,27).
What are the key properties of N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide?
N-[3-(4-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 3.85, 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-(oxane-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45222158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).