2-N-acetylbenzene-1,2-dicarboxamide

C10H10N2O3 — CID 19607558

IUPAC2-N-acetylbenzene-1,2-dicarboxamide
SMILESCC(=O)NC(=O)c1ccccc1C(N)=O
InChIInChI=1S/C10H10N2O3/c1-6(13)12-10(15)8-5-3-2-4-7(8)9(11)14/h2-5H,1H3,(H2,11,14)(H,12,13,15)
InChIKeyJJNZVAMMZNIESC-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.06
Rot. Bonds2

About 2-N-acetylbenzene-1,2-dicarboxamide

2-N-acetylbenzene-1,2-dicarboxamide (PubChem CID 19607558) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-N-acetylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-acetylbenzene-1,2-dicarboxamide
PubChem CID19607558
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-N-acetylbenzene-1,2-dicarboxamide
SMILESCC(=O)NC(=O)c1ccccc1C(N)=O
InChIInChI=1S/C10H10N2O3/c1-6(13)12-10(15)8-5-3-2-4-7(8)9(11)14/h2-5H,1H3,(H2,11,14)(H,12,13,15)
InChIKeyJJNZVAMMZNIESC-UHFFFAOYSA-N
XLogP0.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-[(carbamothioylamino)carbamoyl]benzamide
CID 15536924
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
2-N-(sulfanylmethyl)benzene-1,2-dicarboxamide
CID 21410227
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide
CID 68860620
2-carbamoylbenzoate
CID 3373391
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997
N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide
CID 70008236
N-carbamothioyl-2-chlorobenzamide
CID 3909253

Frequently Asked Questions

What is the IUPAC name of 2-N-acetylbenzene-1,2-dicarboxamide?
The IUPAC name of 2-N-acetylbenzene-1,2-dicarboxamide (CID 19607558) is 2-N-acetylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-acetylbenzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-acetylbenzene-1,2-dicarboxamide is CC(=O)NC(=O)c1ccccc1C(N)=O.
What is the InChIKey of 2-N-acetylbenzene-1,2-dicarboxamide?
The InChIKey is JJNZVAMMZNIESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6(13)12-10(15)8-5-3-2-4-7(8)9(11)14/h2-5H,1H3,(H2,11,14)(H,12,13,15).
What are the key properties of 2-N-acetylbenzene-1,2-dicarboxamide?
2-N-acetylbenzene-1,2-dicarboxamide has a molecular weight of 206.20 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-acetylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 19607558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).