benzene-1,2-dicarboxamide

C8H8N2O2 — CID 6956

IUPACbenzene-1,2-dicarboxamide
SMILESNC(=O)c1ccccc1C(N)=O
InChIInChI=1S/C8H8N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChIKeyNAYYNDKKHOIIOD-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.12
Rot. Bonds2

About benzene-1,2-dicarboxamide

benzene-1,2-dicarboxamide (PubChem CID 6956) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is benzene-1,2-dicarboxamide.

Molecular Properties

Compound Namebenzene-1,2-dicarboxamide
PubChem CID6956
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Namebenzene-1,2-dicarboxamide
SMILESNC(=O)c1ccccc1C(N)=O
InChIInChI=1S/C8H8N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChIKeyNAYYNDKKHOIIOD-UHFFFAOYSA-N
XLogP-0.12
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzamide
CID 2331
Phthalimide
CID 6809
Benzohydroxamic acid
CID 10313
2-Trifluoromethylbenzamide
CID 67759
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
2-Methylbenzamide
CID 10704
2-Fluorobenzamide
CID 67964
2-Cyanobenzamide
CID 72883
Terephthalamide
CID 76381
m-Toluamide
CID 69253
1-Naphthalenecarboxamide
CID 75244

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-dicarboxamide?
The IUPAC name of benzene-1,2-dicarboxamide (CID 6956) is benzene-1,2-dicarboxamide.
What is the SMILES notation for benzene-1,2-dicarboxamide?
The canonical SMILES for benzene-1,2-dicarboxamide is NC(=O)c1ccccc1C(N)=O.
What is the InChIKey of benzene-1,2-dicarboxamide?
The InChIKey is NAYYNDKKHOIIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12).
What are the key properties of benzene-1,2-dicarboxamide?
benzene-1,2-dicarboxamide has a molecular weight of 164.16 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-dicarboxamide is sourced from PubChem (CID 6956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).