methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate

C15H18ClNO3 — CID 142619997

IUPACmethyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate
SMILESCOC(=O)NC[C@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H18ClNO3/c1-20-14(19)17-10-15(9-5-4-8-13(15)18)11-6-2-3-7-12(11)16/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyXGCDBPJZBUVZFJ-HNNXBMFYSA-N
MW295.77 g/mol
LogP3.08
Rot. Bonds3

About methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate

methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate (PubChem CID 142619997) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate
PubChem CID142619997
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namemethyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate
SMILESCOC(=O)NC[C@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H18ClNO3/c1-20-14(19)17-10-15(9-5-4-8-13(15)18)11-6-2-3-7-12(11)16/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyXGCDBPJZBUVZFJ-HNNXBMFYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate?
The IUPAC name of methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate (CID 142619997) is methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate?
The canonical SMILES for methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate is COC(=O)NC[C@]1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate?
The InChIKey is XGCDBPJZBUVZFJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-20-14(19)17-10-15(9-5-4-8-13(15)18)11-6-2-3-7-12(11)16/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate?
methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate has a molecular weight of 295.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate is sourced from PubChem (CID 142619997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).