4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide

C22H20N2O2 — CID 109049216

IUPAC4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-2-24(20-11-7-4-8-12-20)22(26)18-15-13-17(14-16-18)21(25)23-19-9-5-3-6-10-19/h3-16H,2H2,1H3,(H,23,25)
InChIKeyMADVNLLIIMAZQB-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.61
Rot. Bonds5

About 4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide

4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide (PubChem CID 109049216) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
PubChem CID109049216
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-2-24(20-11-7-4-8-12-20)22(26)18-15-13-17(14-16-18)21(25)23-19-9-5-3-6-10-19/h3-16H,2H2,1H3,(H,23,25)
InChIKeyMADVNLLIIMAZQB-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049797
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17229697
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
N-[4-[ethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 2979994
N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17221980
N-[4-[ethyl(phenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 2981018
1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049781
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
CID 168520814
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
4-[(4-bromobenzoyl)carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 54791552

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide (CID 109049216) is 4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide is CCN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide?
The InChIKey is MADVNLLIIMAZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-24(20-11-7-4-8-12-20)22(26)18-15-13-17(14-16-18)21(25)23-19-9-5-3-6-10-19/h3-16H,2H2,1H3,(H,23,25).
What are the key properties of 4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide?
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109049216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).