methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate

C10H12ClNO3 — CID 103292136

IUPACmethyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
SMILESCOC(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C10H12ClNO3/c1-14-9-5-3-4-8(11)7(9)6-12-10(13)15-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyCQBCFVUOHNDRGL-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.20
Rot. Bonds3

About methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate

methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate (PubChem CID 103292136) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
PubChem CID103292136
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
SMILESCOC(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C10H12ClNO3/c1-14-9-5-3-4-8(11)7(9)6-12-10(13)15-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyCQBCFVUOHNDRGL-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
tert-butyl N-[(2-chloro-6-methoxyphenyl)methylamino]carbamate
CID 107236678
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 103292336
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103293265
5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292504
1-[(2-chloro-6-methoxyphenyl)methyl]-3-ethylthiourea
CID 103292116
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
CID 103292466
N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate?
The IUPAC name of methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate (CID 103292136) is methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate is COC(=O)NCc1c(Cl)cccc1OC.
What is the InChIKey of methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate?
The InChIKey is CQBCFVUOHNDRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-9-5-3-4-8(11)7(9)6-12-10(13)15-2/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate?
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate has a molecular weight of 229.66 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 103292136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).