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

C14H16ClNO3 — CID 153325940

IUPACmethyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate
SMILESCOC(=O)N[C@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C14H16ClNO3/c1-19-13(18)16-14(9-5-4-8-12(14)17)10-6-2-3-7-11(10)15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyRFRRPOPZYLFATH-AWEZNQCLSA-N
MW281.74 g/mol
LogP3.03
Rot. Bonds2

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

methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate (PubChem CID 153325940) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate
PubChem CID153325940
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Namemethyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate
SMILESCOC(=O)N[C@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C14H16ClNO3/c1-19-13(18)16-14(9-5-4-8-12(14)17)10-6-2-3-7-11(10)15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyRFRRPOPZYLFATH-AWEZNQCLSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide
CID 91753398
methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate
CID 142619997
methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride
CID 71769911
2-(2-chlorophenyl)-2-(trideuteriomethylamino)cyclohexan-1-one;hydrochloride
CID 117065469
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]methanesulfonamide
CID 126521615
2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one
CID 175247770
[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino] octanoate
CID 174964875
tert-butyl N-[1-(2-chlorophenyl)-3-methoxy-2-oxocyclohexyl]carbamate
CID 166069954
tert-butyl N-[(3R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl]carbamate
CID 146605293
tert-butyl N-[(1R,4S)-1-(2-chlorophenyl)-4-hydroxy-2-oxocyclohexyl]carbamate
CID 169028242
tert-butyl N-[(1R,4R)-1-(2-chlorophenyl)-4-hydroxy-2-oxocyclohexyl]carbamate
CID 138976932
(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
CID 76967267

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate?
The IUPAC name of methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate (CID 153325940) is methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate.
What is the SMILES notation for methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate?
The canonical SMILES for methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate is COC(=O)N[C@]1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate?
The InChIKey is RFRRPOPZYLFATH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-19-13(18)16-14(9-5-4-8-12(14)17)10-6-2-3-7-11(10)15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate?
methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate has a molecular weight of 281.74 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate is sourced from PubChem (CID 153325940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).