3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide

C17H17ClN2O2 — CID 4879329

IUPAC3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyMWDVCHRYCKXEBY-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.95
Rot. Bonds5

About 3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide

3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide (PubChem CID 4879329) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
PubChem CID4879329
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyMWDVCHRYCKXEBY-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide (CID 4879329) is 3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide is CC(NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide?
The InChIKey is MWDVCHRYCKXEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide?
3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide is sourced from PubChem (CID 4879329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).