2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide

C14H16Cl2N2O3 — CID 4883846

IUPAC2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C14H16Cl2N2O3/c15-9-3-4-11(12(16)6-9)14(20)18-8-13(19)17-7-10-2-1-5-21-10/h3-4,6,10H,1-2,5,7-8H2,(H,17,19)(H,18,20)
InChIKeyLTQWETYPLDMNLL-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.02
Rot. Bonds5

About 2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide

2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide (PubChem CID 4883846) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
PubChem CID4883846
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C14H16Cl2N2O3/c15-9-3-4-11(12(16)6-9)14(20)18-8-13(19)17-7-10-2-1-5-21-10/h3-4,6,10H,1-2,5,7-8H2,(H,17,19)(H,18,20)
InChIKeyLTQWETYPLDMNLL-UHFFFAOYSA-N
XLogP2.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide (CID 4883846) is 2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC1CCCO1.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide?
The InChIKey is LTQWETYPLDMNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-9-3-4-11(12(16)6-9)14(20)18-8-13(19)17-7-10-2-1-5-21-10/h3-4,6,10H,1-2,5,7-8H2,(H,17,19)(H,18,20).
What are the key properties of 2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide?
2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide has a molecular weight of 331.20 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 4883846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).