2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide

C9H10Cl2N2O — CID 116827831

IUPAC2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O/c1-13-9(12)5-3-4-6(14-2)8(11)7(5)10/h3-4H,1-2H3,(H2,12,13)
InChIKeyXYPIFNZYNWSDHJ-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.34
Rot. Bonds2

About 2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide

2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide (PubChem CID 116827831) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide
PubChem CID116827831
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O/c1-13-9(12)5-3-4-6(14-2)8(11)7(5)10/h3-4H,1-2H3,(H2,12,13)
InChIKeyXYPIFNZYNWSDHJ-UHFFFAOYSA-N
XLogP2.34
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 82648135
2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide
CID 116827761
[(2,3-dichloro-4-methoxyphenyl)methylideneamino]thiourea
CID 91352635
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570
1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea
CID 115168288
2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide
CID 89371464
(E)-4-(2,3-dichloro-4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 82551153
6-bromo-2-chloro-3-methoxybenzenecarbothioamide
CID 134589009
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide
CID 137209939

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide (CID 116827831) is 2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide is C/N=C(\N)c1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide?
The InChIKey is XYPIFNZYNWSDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-13-9(12)5-3-4-6(14-2)8(11)7(5)10/h3-4H,1-2H3,(H2,12,13).
What are the key properties of 2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide?
2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide has a molecular weight of 233.10 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 116827831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).