(2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate

C16H14Cl2N2O3 — CID 70029834

IUPAC(2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate
SMILESCN(C(=O)OCc1c(Cl)cccc1Cl)c1cccc(C(N)=O)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-20(11-5-2-4-10(8-11)15(19)21)16(22)23-9-12-13(17)6-3-7-14(12)18/h2-8H,9H2,1H3,(H2,19,21)
InChIKeySDCSXYDAPUAIRR-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.87
Rot. Bonds4

About (2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate

(2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate (PubChem CID 70029834) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate
PubChem CID70029834
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name(2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate
SMILESCN(C(=O)OCc1c(Cl)cccc1Cl)c1cccc(C(N)=O)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-20(11-5-2-4-10(8-11)15(19)21)16(22)23-9-12-13(17)6-3-7-14(12)18/h2-8H,9H2,1H3,(H2,19,21)
InChIKeySDCSXYDAPUAIRR-UHFFFAOYSA-N
XLogP3.87
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate?
The IUPAC name of (2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate (CID 70029834) is (2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate?
The canonical SMILES for (2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate is CN(C(=O)OCc1c(Cl)cccc1Cl)c1cccc(C(N)=O)c1.
What is the InChIKey of (2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate?
The InChIKey is SDCSXYDAPUAIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-20(11-5-2-4-10(8-11)15(19)21)16(22)23-9-12-13(17)6-3-7-14(12)18/h2-8H,9H2,1H3,(H2,19,21).
What are the key properties of (2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate?
(2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate has a molecular weight of 353.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate is sourced from PubChem (CID 70029834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).