N-(4-acetylphenyl)-3-benzamidobenzamide

C22H18N2O3 — CID 1301329

IUPACN-(4-acetylphenyl)-3-benzamidobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C22H18N2O3/c1-15(25)16-10-12-19(13-11-16)23-22(27)18-8-5-9-20(14-18)24-21(26)17-6-3-2-4-7-17/h2-14H,1H3,(H,23,27)(H,24,26)
InChIKeyVYYLWIPLYADYKR-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.39
Rot. Bonds5

About N-(4-acetylphenyl)-3-benzamidobenzamide

N-(4-acetylphenyl)-3-benzamidobenzamide (PubChem CID 1301329) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-benzamidobenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-benzamidobenzamide
PubChem CID1301329
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(4-acetylphenyl)-3-benzamidobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C22H18N2O3/c1-15(25)16-10-12-19(13-11-16)23-22(27)18-8-5-9-20(14-18)24-21(26)17-6-3-2-4-7-17/h2-14H,1H3,(H,23,27)(H,24,26)
InChIKeyVYYLWIPLYADYKR-UHFFFAOYSA-N
XLogP4.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-benzamidobenzamide?
The IUPAC name of N-(4-acetylphenyl)-3-benzamidobenzamide (CID 1301329) is N-(4-acetylphenyl)-3-benzamidobenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-benzamidobenzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-benzamidobenzamide is CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-benzamidobenzamide?
The InChIKey is VYYLWIPLYADYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-15(25)16-10-12-19(13-11-16)23-22(27)18-8-5-9-20(14-18)24-21(26)17-6-3-2-4-7-17/h2-14H,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(4-acetylphenyl)-3-benzamidobenzamide?
N-(4-acetylphenyl)-3-benzamidobenzamide has a molecular weight of 358.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-benzamidobenzamide is sourced from PubChem (CID 1301329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).