5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide

C22H18N2O3 — CID 144544324

IUPAC5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
SMILESCC(=O)c1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H18N2O3/c1-15(25)16-12-17(21(26)23-19-8-4-2-5-9-19)14-18(13-16)22(27)24-20-10-6-3-7-11-20/h2-14H,1H3,(H,23,26)(H,24,27)
InChIKeyRKNXKWNDEWYOFH-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.39
Rot. Bonds5

About 5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide

5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide (PubChem CID 144544324) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
PubChem CID144544324
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
SMILESCC(=O)c1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H18N2O3/c1-15(25)16-12-17(21(26)23-19-8-4-2-5-9-19)14-18(13-16)22(27)24-20-10-6-3-7-11-20/h2-14H,1H3,(H,23,26)(H,24,27)
InChIKeyRKNXKWNDEWYOFH-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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Related Compounds

N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
molecular hydrogen;N-phenylbenzamide
CID 145238042
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
[2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate
CID 14793866
1-N,3-N-diphenyl-5-(1,2,2-tricyanoethenylamino)benzene-1,3-dicarboxamide
CID 168609387
5-isocyanato-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 169354728
1-N,3-N-bis(4-acetylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzene-1,3-dicarboxamide
CID 1149114
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
N,2,6-triphenylpyrylium-4-carboxamide
CID 2751530

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide (CID 144544324) is 5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide is CC(=O)c1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The InChIKey is RKNXKWNDEWYOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-15(25)16-12-17(21(26)23-19-8-4-2-5-9-19)14-18(13-16)22(27)24-20-10-6-3-7-11-20/h2-14H,1H3,(H,23,26)(H,24,27).
What are the key properties of 5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide 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 5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 144544324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).