3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide

C14H16Cl2N2O4 — CID 110710125

IUPAC3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCC1CN(C)C(=O)CO1
InChIInChI=1S/C14H16Cl2N2O4/c1-18-6-8(22-7-11(18)19)5-17-14(20)12-9(15)3-4-10(16)13(12)21-2/h3-4,8H,5-7H2,1-2H3,(H,17,20)
InChIKeyXRSJVJMLGHVGBY-UHFFFAOYSA-N
MW347.20 g/mol
LogP1.59
Rot. Bonds4

About 3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide

3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide (PubChem CID 110710125) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide
PubChem CID110710125
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Name3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCC1CN(C)C(=O)CO1
InChIInChI=1S/C14H16Cl2N2O4/c1-18-6-8(22-7-11(18)19)5-17-14(20)12-9(15)3-4-10(16)13(12)21-2/h3-4,8H,5-7H2,1-2H3,(H,17,20)
InChIKeyXRSJVJMLGHVGBY-UHFFFAOYSA-N
XLogP1.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide?
The IUPAC name of 3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide (CID 110710125) is 3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide is COc1c(Cl)ccc(Cl)c1C(=O)NCC1CN(C)C(=O)CO1.
What is the InChIKey of 3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide?
The InChIKey is XRSJVJMLGHVGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c1-18-6-8(22-7-11(18)19)5-17-14(20)12-9(15)3-4-10(16)13(12)21-2/h3-4,8H,5-7H2,1-2H3,(H,17,20).
What are the key properties of 3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide?
3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide has a molecular weight of 347.20 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 110710125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).