[(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate

C11H12ClFN2O4 — CID 90433212

IUPAC[(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate
SMILESC[C@@H](OC(N)=O)[C@H](OC(N)=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H12ClFN2O4/c1-5(18-10(14)16)9(19-11(15)17)8-6(12)3-2-4-7(8)13/h2-5,9H,1H3,(H2,14,16)(H2,15,17)/t5-,9+/m1/s1
InChIKeyGZZNGPIKRMKGQY-ANLVUFKYSA-N
MW290.68 g/mol
LogP2.10
Rot. Bonds4

About [(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate

[(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate (PubChem CID 90433212) has the molecular formula C11H12ClFN2O4 and a molecular weight of 290.68 g/mol. Its IUPAC name is [(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate.

Molecular Properties

Compound Name[(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate
PubChem CID90433212
Molecular FormulaC11H12ClFN2O4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name[(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate
SMILESC[C@@H](OC(N)=O)[C@H](OC(N)=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H12ClFN2O4/c1-5(18-10(14)16)9(19-11(15)17)8-6(12)3-2-4-7(8)13/h2-5,9H,1H3,(H2,14,16)(H2,15,17)/t5-,9+/m1/s1
InChIKeyGZZNGPIKRMKGQY-ANLVUFKYSA-N
XLogP2.10
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate?
The IUPAC name of [(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate (CID 90433212) is [(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate.
What is the SMILES notation for [(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate?
The canonical SMILES for [(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate is C[C@@H](OC(N)=O)[C@H](OC(N)=O)c1c(F)cccc1Cl.
What is the InChIKey of [(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate?
The InChIKey is GZZNGPIKRMKGQY-ANLVUFKYSA-N. The full InChI is InChI=1S/C11H12ClFN2O4/c1-5(18-10(14)16)9(19-11(15)17)8-6(12)3-2-4-7(8)13/h2-5,9H,1H3,(H2,14,16)(H2,15,17)/t5-,9+/m1/s1.
What are the key properties of [(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate?
[(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate has a molecular weight of 290.68 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-carbamoyloxy-1-(2-chloro-6-fluorophenyl)propan-2-yl] carbamate is sourced from PubChem (CID 90433212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).