4-chloro-2-methoxybenzenecarboximidamide

C8H9ClN2O — CID 63093709

IUPAC4-chloro-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC
InChIInChI=1S/C8H9ClN2O/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKeyJMKLASWAOMUWEW-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.63
Rot. Bonds2

About 4-chloro-2-methoxybenzenecarboximidamide

4-chloro-2-methoxybenzenecarboximidamide (PubChem CID 63093709) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 4-chloro-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-methoxybenzenecarboximidamide
PubChem CID63093709
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name4-chloro-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC
InChIInChI=1S/C8H9ClN2O/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKeyJMKLASWAOMUWEW-UHFFFAOYSA-N
XLogP1.63
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.63
H-Bond Donors ≤ 52
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

4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-[(4-chlorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791862
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
2-(2,4-dichlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81302946
4-chloro-2-methoxybenzamide
CID 19741766
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-methoxybenzenecarboximidamide (CID 63093709) is 4-chloro-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OC.
What is the InChIKey of 4-chloro-2-methoxybenzenecarboximidamide?
The InChIKey is JMKLASWAOMUWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H3,10,11).
What are the key properties of 4-chloro-2-methoxybenzenecarboximidamide?
4-chloro-2-methoxybenzenecarboximidamide has a molecular weight of 184.63 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 63093709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).