ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate

C15H14Cl2N2O3 — CID 3848695

IUPACethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O3/c1-2-22-15(21)18-10-6-7-14(20)19(8-10)9-11-12(16)4-3-5-13(11)17/h3-8H,2,9H2,1H3,(H,18,21)
InChIKeyREQHDSZYOFNCPH-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.77
Rot. Bonds4

About ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate

ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate (PubChem CID 3848695) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate
PubChem CID3848695
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Nameethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O3/c1-2-22-15(21)18-10-6-7-14(20)19(8-10)9-11-12(16)4-3-5-13(11)17/h3-8H,2,9H2,1H3,(H,18,21)
InChIKeyREQHDSZYOFNCPH-UHFFFAOYSA-N
XLogP3.77
TPSA60.33 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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
N-[1-(2-Chloro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-2-methoxy-acetamide
CID 6488639
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]acetamide
CID 3828707
2-propynyl N-[1-(2,6-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]carbamate
CID 3842239
N-(2,4-Dichloro-benzyl)-6-hydroxy-nicotinamide
CID 7545432
1-[(2,4-Dichlorophenyl)methyl]-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764876
methyl N-[1-(2,6-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]carbamate
CID 1483017
methyl N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]carbamate
CID 3747718
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]cyclopropanecarboxamide
CID 4679896
1-(2,6-dichlorobenzyl)-3-methylpyridin-2(1H)-one
CID 2805344
1-(2,6-dichlorobenzyl)pyridin-2(1H)-one
CID 1837198
2-propynyl N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]carbamate
CID 3780188

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate (CID 3848695) is ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate?
The InChIKey is REQHDSZYOFNCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-2-22-15(21)18-10-6-7-14(20)19(8-10)9-11-12(16)4-3-5-13(11)17/h3-8H,2,9H2,1H3,(H,18,21).
What are the key properties of ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate?
ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate has a molecular weight of 341.19 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 3848695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).