N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide

C22H22F2N2O3 — CID 86939769

IUPACN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
SMILESO=C1CCCN1c1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1F
InChIInChI=1S/C22H22F2N2O3/c23-16-4-1-3-15(13-16)22(8-11-29-12-9-22)21(28)25-17-6-7-19(18(24)14-17)26-10-2-5-20(26)27/h1,3-4,6-7,13-14H,2,5,8-12H2,(H,25,28)
InChIKeyZCLIFXYVFDMVHF-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.78
Rot. Bonds4

About N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide

N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide (PubChem CID 86939769) has the molecular formula C22H22F2N2O3 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
PubChem CID86939769
Molecular FormulaC22H22F2N2O3
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
SMILESO=C1CCCN1c1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1F
InChIInChI=1S/C22H22F2N2O3/c23-16-4-1-3-15(13-16)22(8-11-29-12-9-22)21(28)25-17-6-7-19(18(24)14-17)26-10-2-5-20(26)27/h1,3-4,6-7,13-14H,2,5,8-12H2,(H,25,28)
InChIKeyZCLIFXYVFDMVHF-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide
CID 51125644
1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide
CID 30875236
(Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide
CID 86939695
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 33307145
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86940012
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 60582417
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide
CID 51125642
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 16764862

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide (CID 86939769) is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide is O=C1CCCN1c1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1F.
What is the InChIKey of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide?
The InChIKey is ZCLIFXYVFDMVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O3/c23-16-4-1-3-15(13-16)22(8-11-29-12-9-22)21(28)25-17-6-7-19(18(24)14-17)26-10-2-5-20(26)27/h1,3-4,6-7,13-14H,2,5,8-12H2,(H,25,28).
What are the key properties of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide?
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 86939769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).