[7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate

C16H17ClN2O5 — CID 19886759

IUPAC[7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate
SMILESCNC(=O)Oc1c(C)c(OC)c(OC(=O)NC)c2ccc(Cl)cc12
InChIInChI=1S/C16H17ClN2O5/c1-8-12(23-15(20)18-2)11-7-9(17)5-6-10(11)14(13(8)22-4)24-16(21)19-3/h5-7H,1-4H3,(H,18,20)(H,19,21)
InChIKeySYACOWFRIKOWNI-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.25
Rot. Bonds3

About [7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate

[7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate (PubChem CID 19886759) has the molecular formula C16H17ClN2O5 and a molecular weight of 352.77 g/mol. Its IUPAC name is [7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate
PubChem CID19886759
Molecular FormulaC16H17ClN2O5
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name[7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate
SMILESCNC(=O)Oc1c(C)c(OC)c(OC(=O)NC)c2ccc(Cl)cc12
InChIInChI=1S/C16H17ClN2O5/c1-8-12(23-15(20)18-2)11-7-9(17)5-6-10(11)14(13(8)22-4)24-16(21)19-3/h5-7H,1-4H3,(H,18,20)(H,19,21)
InChIKeySYACOWFRIKOWNI-UHFFFAOYSA-N
XLogP3.25
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloro-2,3-dimethoxy-4-propanoyloxynaphthalen-1-yl) butanoate
CID 149158601
bicyclo[2.2.0]hexa-1,3,5-triene;(7-chloro-4-hydroxy-2,3-dimethoxynaphthalen-1-yl) acetate
CID 23038234
(6-chloro-4-hydroxy-2,3-dimethoxynaphthalen-1-yl) 2-methylpropanoate
CID 54510847
(6-chloro-4-hydroxy-2,3-dimethoxynaphthalen-1-yl) butanoate
CID 23038661
(3-butyl-2,4-dimethoxynaphthalen-1-yl) N-methylcarbamate
CID 19873111
(2,3,5,6-tetrafluorophenyl) N-methylcarbamate
CID 155696614
(6-chloro-4-hydroxy-2,3-dimethoxynaphthalen-1-yl) benzoate
CID 23038466
[6-chloro-2,3-dimethoxy-4-(2-methylhexoxycarbonyloxy)naphthalen-1-yl] 2-methylhexyl carbonate
CID 19886723
[2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate
CID 19886641
(6-chloro-2,3-dimethoxy-4-propoxynaphthalen-1-yl) octanoate
CID 149158598
[4-acetyloxy-2,3-dimethoxy-6-(methylamino)naphthalen-1-yl] acetate
CID 23038333
[6-chloro-2,3-dimethoxy-4-(2-methylpropanoyloxy)naphthalen-1-yl] octanoate
CID 54036580

Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate?
The IUPAC name of [7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate (CID 19886759) is [7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate.
What is the SMILES notation for [7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate?
The canonical SMILES for [7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate is CNC(=O)Oc1c(C)c(OC)c(OC(=O)NC)c2ccc(Cl)cc12.
What is the InChIKey of [7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate?
The InChIKey is SYACOWFRIKOWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5/c1-8-12(23-15(20)18-2)11-7-9(17)5-6-10(11)14(13(8)22-4)24-16(21)19-3/h5-7H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of [7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate?
[7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate has a molecular weight of 352.77 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-methoxy-2-methyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate is sourced from PubChem (CID 19886759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).