5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide

C10H11ClN2O2 — CID 69135930

IUPAC5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1C(N)=O
InChIInChI=1S/C10H11ClN2O2/c1-5-3-6(11)4-7(10(15)13-2)8(5)9(12)14/h3-4H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyFFALJFVXGBFGAY-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.11
Rot. Bonds2

About 5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide

5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide (PubChem CID 69135930) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide
PubChem CID69135930
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1C(N)=O
InChIInChI=1S/C10H11ClN2O2/c1-5-3-6(11)4-7(10(15)13-2)8(5)9(12)14/h3-4H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyFFALJFVXGBFGAY-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride
CID 172855088
3,5-dichloro-N,2-dimethylbenzamide
CID 143932628
methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate
CID 126500415
4-chloro-2-methyl-6-(trifluoromethyl)benzamide
CID 171004117
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
hydroxymethyl 2,5-dichloro-3-methylbenzoate
CID 174733385
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
5-chloro-N-methyl-2-sulfanylbenzamide
CID 123328239
1,2,5,6,7,8,11,12-octachloro-9-N,10-N-dimethylperylene-3,4,9,10-tetracarboxamide
CID 87247893
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
[(5-chloro-2-methylbenzoyl)amino]urea
CID 82890358
3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
CID 69438870

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide?
The IUPAC name of 5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide (CID 69135930) is 5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide?
The canonical SMILES for 5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide is CNC(=O)c1cc(Cl)cc(C)c1C(N)=O.
What is the InChIKey of 5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide?
The InChIKey is FFALJFVXGBFGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-5-3-6(11)4-7(10(15)13-2)8(5)9(12)14/h3-4H,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide?
5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide has a molecular weight of 226.66 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 69135930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).