2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide

C15H13ClN2O2 — CID 2796987

IUPAC2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O2/c16-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)15(17)20/h1-8,18H,9H2,(H2,17,20)
InChIKeyXSTWJTDCFBHWAR-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.73
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide

2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide (PubChem CID 2796987) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide
PubChem CID2796987
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O2/c16-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)15(17)20/h1-8,18H,9H2,(H2,17,20)
InChIKeyXSTWJTDCFBHWAR-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide (CID 2796987) is 2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide is NC(=O)c1ccccc1NCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide?
The InChIKey is XSTWJTDCFBHWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)15(17)20/h1-8,18H,9H2,(H2,17,20).
What are the key properties of 2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide?
2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide has a molecular weight of 288.73 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 2796987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).