methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate

C15H16F4N2O2 — CID 155146497

IUPACmethyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
SMILESCOC(=O)N(C1CNC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H16F4N2O2/c1-23-13(22)21(10-7-20-8-10)14(4-5-14)9-2-3-12(16)11(6-9)15(17,18)19/h2-3,6,10,20H,4-5,7-8H2,1H3
InChIKeyILSNPOQNEVOWTD-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.87
Rot. Bonds3

About methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate

methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate (PubChem CID 155146497) has the molecular formula C15H16F4N2O2 and a molecular weight of 332.30 g/mol. Its IUPAC name is methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
PubChem CID155146497
Molecular FormulaC15H16F4N2O2
Molecular Weight332.30 g/mol
Exact Mass332.11
IUPAC Namemethyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
SMILESCOC(=O)N(C1CNC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H16F4N2O2/c1-23-13(22)21(10-7-20-8-10)14(4-5-14)9-2-3-12(16)11(6-9)15(17,18)19/h2-3,6,10,20H,4-5,7-8H2,1H3
InChIKeyILSNPOQNEVOWTD-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate?
The IUPAC name of methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate (CID 155146497) is methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate.
What is the SMILES notation for methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate?
The canonical SMILES for methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate is COC(=O)N(C1CNC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate?
The InChIKey is ILSNPOQNEVOWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2O2/c1-23-13(22)21(10-7-20-8-10)14(4-5-14)9-2-3-12(16)11(6-9)15(17,18)19/h2-3,6,10,20H,4-5,7-8H2,1H3.
What are the key properties of methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate?
methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate has a molecular weight of 332.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(azetidin-3-yl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate is sourced from PubChem (CID 155146497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).