[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate

C15H15Cl2FN2O3 — CID 99788681

IUPAC[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate
SMILESC[C@]1(C(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)CC1(Cl)Cl
InChIInChI=1S/C15H15Cl2FN2O3/c1-14(8-15(14,16)17)12(21)20-6-11(7-20)23-13(22)19-10-4-2-3-9(18)5-10/h2-5,11H,6-8H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyQHLDAGFKTYCYEM-CQSZACIVSA-N
MW361.20 g/mol
LogP3.17
Rot. Bonds3

About [1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate

[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate (PubChem CID 99788681) has the molecular formula C15H15Cl2FN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is [1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate
PubChem CID99788681
Molecular FormulaC15H15Cl2FN2O3
Molecular Weight361.20 g/mol
Exact Mass360.04
IUPAC Name[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate
SMILESC[C@]1(C(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)CC1(Cl)Cl
InChIInChI=1S/C15H15Cl2FN2O3/c1-14(8-15(14,16)17)12(21)20-6-11(7-20)23-13(22)19-10-4-2-3-9(18)5-10/h2-5,11H,6-8H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyQHLDAGFKTYCYEM-CQSZACIVSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-[(2S)-2-methylbutanoyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate
CID 99788685
[2-(3-fluoroanilino)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2618920
[2-(3-fluoroanilino)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2618922
[2-(4-fluoroanilino)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619143
[2-(4-fluoroanilino)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619145
[2-(2-fluoroanilino)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619215
[2-(2-fluoroanilino)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619216
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7864049
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7864050
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7864052
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7864054
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7864056

Frequently Asked Questions

What is the IUPAC name of [1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate?
The IUPAC name of [1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate (CID 99788681) is [1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate.
What is the SMILES notation for [1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate?
The canonical SMILES for [1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate is C[C@]1(C(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)CC1(Cl)Cl.
What is the InChIKey of [1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate?
The InChIKey is QHLDAGFKTYCYEM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O3/c1-14(8-15(14,16)17)12(21)20-6-11(7-20)23-13(22)19-10-4-2-3-9(18)5-10/h2-5,11H,6-8H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of [1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate?
[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate has a molecular weight of 361.20 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]azetidin-3-yl] N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 99788681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).