2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide

C17H18ClN3O2 — CID 2115027

IUPAC2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-21(11-16(22)19-13-7-3-2-4-8-13)12-17(23)20-15-10-6-5-9-14(15)18/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyOQEPYMBNMWCXFG-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.85
Rot. Bonds6

About 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide (PubChem CID 2115027) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
PubChem CID2115027
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-21(11-16(22)19-13-7-3-2-4-8-13)12-17(23)20-15-10-6-5-9-14(15)18/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyOQEPYMBNMWCXFG-UHFFFAOYSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide (CID 2115027) is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide is CN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide?
The InChIKey is OQEPYMBNMWCXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-21(11-16(22)19-13-7-3-2-4-8-13)12-17(23)20-15-10-6-5-9-14(15)18/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide?
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide has a molecular weight of 331.80 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide is sourced from PubChem (CID 2115027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).