3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide

C22H20N2O2 — CID 174942575

IUPAC3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide
SMILESCc1ccc(-c2ccc(C(N)=O)c(C(N)=O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-13-3-7-15(8-4-13)17-11-12-18(21(23)25)20(22(24)26)19(17)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,23,25)(H2,24,26)
InChIKeyINZDHIPIIXSLCH-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.84
Rot. Bonds4

About 3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide

3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide (PubChem CID 174942575) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide
PubChem CID174942575
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide
SMILESCc1ccc(-c2ccc(C(N)=O)c(C(N)=O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-13-3-7-15(8-4-13)17-11-12-18(21(23)25)20(22(24)26)19(17)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,23,25)(H2,24,26)
InChIKeyINZDHIPIIXSLCH-UHFFFAOYSA-N
XLogP3.84
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide?
The IUPAC name of 3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide (CID 174942575) is 3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide is Cc1ccc(-c2ccc(C(N)=O)c(C(N)=O)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide?
The InChIKey is INZDHIPIIXSLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-13-3-7-15(8-4-13)17-11-12-18(21(23)25)20(22(24)26)19(17)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,23,25)(H2,24,26).
What are the key properties of 3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide?
3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 174942575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).