2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide

C8H8Cl2N2O2 — CID 82648135

IUPAC2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(Cl)c1Cl
InChIInChI=1S/C8H8Cl2N2O2/c1-14-5-3-2-4(8(11)12-13)6(9)7(5)10/h2-3,13H,1H3,(H2,11,12)
InChIKeyYAHKGQODAOGZJG-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.10
Rot. Bonds2

About 2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide

2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 82648135) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID82648135
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(Cl)c1Cl
InChIInChI=1S/C8H8Cl2N2O2/c1-14-5-3-2-4(8(11)12-13)6(9)7(5)10/h2-3,13H,1H3,(H2,11,12)
InChIKeyYAHKGQODAOGZJG-UHFFFAOYSA-N
XLogP2.10
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide
CID 116827831
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206
N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide
CID 121290420
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
(1Z)-2-chloro-N-hydroxy-3,4-dimethoxybenzenecarboximidoyl chloride
CID 106892052
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
methyl 3-[(E)-N'-hydroxycarbamimidoyl]-4-methoxybenzoate
CID 51063639
2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 76981642
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570
1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea
CID 115168288

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of 2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 82648135) is 2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide is COc1ccc(/C(N)=N/O)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is YAHKGQODAOGZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c1-14-5-3-2-4(8(11)12-13)6(9)7(5)10/h2-3,13H,1H3,(H2,11,12).
What are the key properties of 2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide?
2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 235.07 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 82648135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).