4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide

C14H13ClN2O2 — CID 63093186

IUPAC4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(OC)cc1
InChIInChI=1S/C14H13ClN2O2/c1-18-10-3-5-11(6-4-10)19-13-8-9(15)2-7-12(13)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyNJAHGKQDHGFTIZ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.42
Rot. Bonds4

About 4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide

4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide (PubChem CID 63093186) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
PubChem CID63093186
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(OC)cc1
InChIInChI=1S/C14H13ClN2O2/c1-18-10-3-5-11(6-4-10)19-13-8-9(15)2-7-12(13)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyNJAHGKQDHGFTIZ-UHFFFAOYSA-N
XLogP3.42
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.42
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'}

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Related Compounds

4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide
CID 63523810
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
2-(2,4-dichlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81302946
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
CID 63524864
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523806
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2,4-dimethoxybenzenecarboximidamide
CID 4138242

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide (CID 63093186) is 4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(OC)cc1.
What is the InChIKey of 4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide?
The InChIKey is NJAHGKQDHGFTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-18-10-3-5-11(6-4-10)19-13-8-9(15)2-7-12(13)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide?
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide has a molecular weight of 276.72 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 63093186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).