2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide

C13H17ClN4O2 — CID 119504449

IUPAC2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide
SMILESCNCCNC(=O)c1cc(N2CCNC2=O)ccc1Cl
InChIInChI=1S/C13H17ClN4O2/c1-15-4-5-16-12(19)10-8-9(2-3-11(10)14)18-7-6-17-13(18)20/h2-3,8,15H,4-7H2,1H3,(H,16,19)(H,17,20)
InChIKeyYVHKQHRYLNUXGQ-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.82
Rot. Bonds5

About 2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide

2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 119504449) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID119504449
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide
SMILESCNCCNC(=O)c1cc(N2CCNC2=O)ccc1Cl
InChIInChI=1S/C13H17ClN4O2/c1-15-4-5-16-12(19)10-8-9(2-3-11(10)14)18-7-6-17-13(18)20/h2-3,8,15H,4-7H2,1H3,(H,16,19)(H,17,20)
InChIKeyYVHKQHRYLNUXGQ-UHFFFAOYSA-N
XLogP0.82
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide (CID 119504449) is 2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide is CNCCNC(=O)c1cc(N2CCNC2=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is YVHKQHRYLNUXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-15-4-5-16-12(19)10-8-9(2-3-11(10)14)18-7-6-17-13(18)20/h2-3,8,15H,4-7H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide?
2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 296.76 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 119504449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).