methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate

C17H18ClNO3 — CID 20667562

IUPACmethyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1ccccc1COc1ccccc1Cl
InChIInChI=1S/C17H18ClNO3/c1-3-19(17(20)21-2)15-10-6-4-8-13(15)12-22-16-11-7-5-9-14(16)18/h4-11H,3,12H2,1-2H3
InChIKeyWUJLEIHYFGOANG-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.51
Rot. Bonds5

About methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate

methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate (PubChem CID 20667562) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate
PubChem CID20667562
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Namemethyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1ccccc1COc1ccccc1Cl
InChIInChI=1S/C17H18ClNO3/c1-3-19(17(20)21-2)15-10-6-4-8-13(15)12-22-16-11-7-5-9-14(16)18/h4-11H,3,12H2,1-2H3
InChIKeyWUJLEIHYFGOANG-UHFFFAOYSA-N
XLogP4.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate
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methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamate
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2-[(2-chlorophenoxy)methyl]benzohydrazide
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CID 20667514
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
methyl N-[2-[(4-methylphenoxy)methyl]phenyl]-N-prop-2-ynylcarbamate
CID 20667584
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide
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methyl N-[2-[(2-bromo-4-ethyl-5-methylphenoxy)methyl]phenyl]-N-hydroxycarbamate
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[2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate
CID 122649872
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
CID 119333070

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate?
The IUPAC name of methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate (CID 20667562) is methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate.
What is the SMILES notation for methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate?
The canonical SMILES for methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate is CCN(C(=O)OC)c1ccccc1COc1ccccc1Cl.
What is the InChIKey of methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate?
The InChIKey is WUJLEIHYFGOANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-3-19(17(20)21-2)15-10-6-4-8-13(15)12-22-16-11-7-5-9-14(16)18/h4-11H,3,12H2,1-2H3.
What are the key properties of methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate?
methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate has a molecular weight of 319.79 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate is sourced from PubChem (CID 20667562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).