1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one

C21H23FN4O2 — CID 24816908

IUPAC1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCCC(Nc2cccc(F)c2)C1
InChIInChI=1S/C21H23FN4O2/c22-16-5-2-6-17(13-16)24-18-7-3-10-25(14-18)20(27)15-4-1-8-19(12-15)26-11-9-23-21(26)28/h1-2,4-6,8,12-13,18,24H,3,7,9-11,14H2,(H,23,28)
InChIKeyOHNOFYIPVVFZMX-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.07
Rot. Bonds4

About 1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 24816908) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID24816908
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCCC(Nc2cccc(F)c2)C1
InChIInChI=1S/C21H23FN4O2/c22-16-5-2-6-17(13-16)24-18-7-3-10-25(14-18)20(27)15-4-1-8-19(12-15)26-11-9-23-21(26)28/h1-2,4-6,8,12-13,18,24H,3,7,9-11,14H2,(H,23,28)
InChIKeyOHNOFYIPVVFZMX-UHFFFAOYSA-N
XLogP3.07
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[3-fluoro-4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 24816908) is 1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one is O=C(c1cccc(N2CCNC2=O)c1)N1CCCC(Nc2cccc(F)c2)C1.
What is the InChIKey of 1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is OHNOFYIPVVFZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-16-5-2-6-17(13-16)24-18-7-3-10-25(14-18)20(27)15-4-1-8-19(12-15)26-11-9-23-21(26)28/h1-2,4-6,8,12-13,18,24H,3,7,9-11,14H2,(H,23,28).
What are the key properties of 1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 382.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 24816908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).