[1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate

C15H13FN2O4 — CID 99823138

IUPAC[1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OC1CN(C(=O)c2ccco2)C1
InChIInChI=1S/C15H13FN2O4/c16-10-3-1-4-11(7-10)17-15(20)22-12-8-18(9-12)14(19)13-5-2-6-21-13/h1-7,12H,8-9H2,(H,17,20)
InChIKeyCIMUYMMMBRZXSA-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.49
Rot. Bonds3

About [1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate

[1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate (PubChem CID 99823138) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is [1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name[1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate
PubChem CID99823138
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name[1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OC1CN(C(=O)c2ccco2)C1
InChIInChI=1S/C15H13FN2O4/c16-10-3-1-4-11(7-10)17-15(20)22-12-8-18(9-12)14(19)13-5-2-6-21-13/h1-7,12H,8-9H2,(H,17,20)
InChIKeyCIMUYMMMBRZXSA-UHFFFAOYSA-N
XLogP2.49
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate
CID 99788681
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55424509
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 8006283
[4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262152
(5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate
CID 13195030
furan-2-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 119101589
[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112875500
[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109286543
2-adamantyl N-(3-fluorophenyl)carbamate
CID 134947824
(3R,4R)-4-(3-fluorophenyl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93152582
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate?
The IUPAC name of [1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate (CID 99823138) is [1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate.
What is the SMILES notation for [1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate?
The canonical SMILES for [1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate is O=C(Nc1cccc(F)c1)OC1CN(C(=O)c2ccco2)C1.
What is the InChIKey of [1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate?
The InChIKey is CIMUYMMMBRZXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-10-3-1-4-11(7-10)17-15(20)22-12-8-18(9-12)14(19)13-5-2-6-21-13/h1-7,12H,8-9H2,(H,17,20).
What are the key properties of [1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate?
[1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate has a molecular weight of 304.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-carbonyl)azetidin-3-yl] N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 99823138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).