3-(chloroamino)-N-methoxy-4-methylbenzamide

C9H11ClN2O2 — CID 89354643

IUPAC3-(chloroamino)-N-methoxy-4-methylbenzamide
SMILESCONC(=O)c1ccc(C)c(NCl)c1
InChIInChI=1S/C9H11ClN2O2/c1-6-3-4-7(5-8(6)11-10)9(13)12-14-2/h3-5,11H,1-2H3,(H,12,13)
InChIKeyIODVKHSWPUSZCB-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.85
Rot. Bonds3

About 3-(chloroamino)-N-methoxy-4-methylbenzamide

3-(chloroamino)-N-methoxy-4-methylbenzamide (PubChem CID 89354643) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(chloroamino)-N-methoxy-4-methylbenzamide.

Molecular Properties

Compound Name3-(chloroamino)-N-methoxy-4-methylbenzamide
PubChem CID89354643
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-(chloroamino)-N-methoxy-4-methylbenzamide
SMILESCONC(=O)c1ccc(C)c(NCl)c1
InChIInChI=1S/C9H11ClN2O2/c1-6-3-4-7(5-8(6)11-10)9(13)12-14-2/h3-5,11H,1-2H3,(H,12,13)
InChIKeyIODVKHSWPUSZCB-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-methoxy-3-methylbenzamide
CID 145366952
4-hydroxy-N-methoxy-2-methylbenzamide
CID 103865166
3,4-dihydroxy-N-methoxybenzamide
CID 103956380
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914
3-[[5-cyano-6-(methylamino)pyrimidin-4-yl]amino]-N-methoxy-4-methylbenzamide
CID 11587673
N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide
CID 87469853
methyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755186
3-[(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-methoxy-4-methylbenzamide;ethane
CID 142201961
2,3-difluoro-N-methoxy-4-methylbenzamide
CID 168957228
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
3-[[5-cyano-6-(propylamino)pyrimidin-4-yl]amino]-N-methoxy-4-methylbenzamide
CID 11522952
ethyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 16726210

Frequently Asked Questions

What is the IUPAC name of 3-(chloroamino)-N-methoxy-4-methylbenzamide?
The IUPAC name of 3-(chloroamino)-N-methoxy-4-methylbenzamide (CID 89354643) is 3-(chloroamino)-N-methoxy-4-methylbenzamide.
What is the SMILES notation for 3-(chloroamino)-N-methoxy-4-methylbenzamide?
The canonical SMILES for 3-(chloroamino)-N-methoxy-4-methylbenzamide is CONC(=O)c1ccc(C)c(NCl)c1.
What is the InChIKey of 3-(chloroamino)-N-methoxy-4-methylbenzamide?
The InChIKey is IODVKHSWPUSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6-3-4-7(5-8(6)11-10)9(13)12-14-2/h3-5,11H,1-2H3,(H,12,13).
What are the key properties of 3-(chloroamino)-N-methoxy-4-methylbenzamide?
3-(chloroamino)-N-methoxy-4-methylbenzamide has a molecular weight of 214.65 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloroamino)-N-methoxy-4-methylbenzamide is sourced from PubChem (CID 89354643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).