3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

C13H14Cl2N2O3 — CID 2575671

IUPAC3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESO=C(NCC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-10-2-1-9(7-11(10)15)13(19)16-8-12(18)17-3-5-20-6-4-17/h1-2,7H,3-6,8H2,(H,16,19)
InChIKeyPLNKESRTDUIKOM-UHFFFAOYSA-N
MW317.17 g/mol
LogP1.58
Rot. Bonds3

About 3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (PubChem CID 2575671) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
PubChem CID2575671
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESO=C(NCC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-10-2-1-9(7-11(10)15)13(19)16-8-12(18)17-3-5-20-6-4-17/h1-2,7H,3-6,8H2,(H,16,19)
InChIKeyPLNKESRTDUIKOM-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (CID 2575671) is 3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is O=C(NCC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The InChIKey is PLNKESRTDUIKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-10-2-1-9(7-11(10)15)13(19)16-8-12(18)17-3-5-20-6-4-17/h1-2,7H,3-6,8H2,(H,16,19).
What are the key properties of 3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide has a molecular weight of 317.17 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is sourced from PubChem (CID 2575671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).