2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide

C22H19N3O3 — CID 112767345

IUPAC2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H19N3O3/c1-23-20(26)16-10-7-11-17(14-16)24-22(28)18-12-5-6-13-19(18)25-21(27)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyFQJPSWDWTQMGMC-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.55
Rot. Bonds5

About 2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide

2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide (PubChem CID 112767345) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
PubChem CID112767345
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H19N3O3/c1-23-20(26)16-10-7-11-17(14-16)24-22(28)18-12-5-6-13-19(18)25-21(27)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyFQJPSWDWTQMGMC-UHFFFAOYSA-N
XLogP3.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide (CID 112767345) is 2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1.
What is the InChIKey of 2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is FQJPSWDWTQMGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-23-20(26)16-10-7-11-17(14-16)24-22(28)18-12-5-6-13-19(18)25-21(27)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide?
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 112767345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).