[1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate

C20H16FN3O3 — CID 91610453

IUPAC[1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate
SMILESNC(=O)OC(C(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1F
InChIInChI=1S/C20H16FN3O3/c21-17-4-2-1-3-16(17)18(27-20(22)26)19(25)24-15-7-5-13(6-8-15)14-9-11-23-12-10-14/h1-12,18H,(H2,22,26)(H,24,25)
InChIKeyCQXTVAPNFFFXIH-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.66
Rot. Bonds5

About [1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate

[1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate (PubChem CID 91610453) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate
PubChem CID91610453
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name[1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate
SMILESNC(=O)OC(C(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1F
InChIInChI=1S/C20H16FN3O3/c21-17-4-2-1-3-16(17)18(27-20(22)26)19(25)24-15-7-5-13(6-8-15)14-9-11-23-12-10-14/h1-12,18H,(H2,22,26)(H,24,25)
InChIKeyCQXTVAPNFFFXIH-UHFFFAOYSA-N
XLogP3.66
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate?
The IUPAC name of [1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate (CID 91610453) is [1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate.
What is the SMILES notation for [1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate?
The canonical SMILES for [1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate is NC(=O)OC(C(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate?
The InChIKey is CQXTVAPNFFFXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c21-17-4-2-1-3-16(17)18(27-20(22)26)19(25)24-15-7-5-13(6-8-15)14-9-11-23-12-10-14/h1-12,18H,(H2,22,26)(H,24,25).
What are the key properties of [1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate?
[1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate has a molecular weight of 365.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-2-oxo-2-(4-pyridin-4-ylanilino)ethyl] carbamate is sourced from PubChem (CID 91610453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).