methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate

C15H14Cl2N2O3 — CID 139811113

IUPACmethyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2cnc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C15H14Cl2N2O3/c1-9-5-11(3-4-13(9)19-15(20)21-2)22-8-10-6-12(16)14(17)18-7-10/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyGXWNINBPGTWDHI-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.45
Rot. Bonds4

About methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate

methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate (PubChem CID 139811113) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
PubChem CID139811113
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Namemethyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2cnc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C15H14Cl2N2O3/c1-9-5-11(3-4-13(9)19-15(20)21-2)22-8-10-6-12(16)14(17)18-7-10/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyGXWNINBPGTWDHI-UHFFFAOYSA-N
XLogP4.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139811023
methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811030
methyl N-[4-[(5-ethyl-2-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139810973
methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate
CID 139811034
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate
CID 139811024
methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate
CID 139811068
2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
CID 39431489
2-(3,4-dichlorophenyl)-N-(2-methyl-4-propoxyphenyl)acetamide
CID 60540563
methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139810963
N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 154800116
N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide
CID 18932064

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate?
The IUPAC name of methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate (CID 139811113) is methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate is COC(=O)Nc1ccc(OCc2cnc(Cl)c(Cl)c2)cc1C.
What is the InChIKey of methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate?
The InChIKey is GXWNINBPGTWDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-9-5-11(3-4-13(9)19-15(20)21-2)22-8-10-6-12(16)14(17)18-7-10/h3-7H,8H2,1-2H3,(H,19,20).
What are the key properties of methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate?
methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate has a molecular weight of 341.19 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate is sourced from PubChem (CID 139811113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).