(3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate

C17H22ClFN2O3 — CID 6733814

IUPAC(3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
SMILESCC1(COC(=O)NC2CCN(Cc3c(F)cccc3Cl)C2)COC1
InChIInChI=1S/C17H22ClFN2O3/c1-17(9-23-10-17)11-24-16(22)20-12-5-6-21(7-12)8-13-14(18)3-2-4-15(13)19/h2-4,12H,5-11H2,1H3,(H,20,22)
InChIKeyZNOMMSAGAQGKPA-UHFFFAOYSA-N
MW356.83 g/mol
LogP2.82
Rot. Bonds5

About (3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate

(3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate (PubChem CID 6733814) has the molecular formula C17H22ClFN2O3 and a molecular weight of 356.83 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
PubChem CID6733814
Molecular FormulaC17H22ClFN2O3
Molecular Weight356.83 g/mol
Exact Mass356.13
IUPAC Name(3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
SMILESCC1(COC(=O)NC2CCN(Cc3c(F)cccc3Cl)C2)COC1
InChIInChI=1S/C17H22ClFN2O3/c1-17(9-23-10-17)11-24-16(22)20-12-5-6-21(7-12)8-13-14(18)3-2-4-15(13)19/h2-4,12H,5-11H2,1H3,(H,20,22)
InChIKeyZNOMMSAGAQGKPA-UHFFFAOYSA-N
XLogP2.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of (3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate (CID 6733814) is (3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate is CC1(COC(=O)NC2CCN(Cc3c(F)cccc3Cl)C2)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate?
The InChIKey is ZNOMMSAGAQGKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O3/c1-17(9-23-10-17)11-24-16(22)20-12-5-6-21(7-12)8-13-14(18)3-2-4-15(13)19/h2-4,12H,5-11H2,1H3,(H,20,22).
What are the key properties of (3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate?
(3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate has a molecular weight of 356.83 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 6733814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).