4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide

C15H14BrClN2O2 — CID 102724538

IUPAC4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cc(OC)ccc2Br)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c1-20-10-3-5-13(16)9(6-10)8-21-11-2-4-12(15(18)19)14(17)7-11/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyFXROQIOFDVDOCJ-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.97
Rot. Bonds5

About 4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide

4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide (PubChem CID 102724538) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
PubChem CID102724538
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cc(OC)ccc2Br)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c1-20-10-3-5-13(16)9(6-10)8-21-11-2-4-12(15(18)19)14(17)7-11/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyFXROQIOFDVDOCJ-UHFFFAOYSA-N
XLogP3.97
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.97
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

3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657260
2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide
CID 102724621
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 102724554
4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810
2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
CID 102724610
2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
3-[(2-bromo-5-methoxyphenyl)methoxy]benzenecarbothioamide
CID 65323381
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-chlorobenzenecarbothioamide
CID 65322766
2-chloro-4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 102724521
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-chloroaniline
CID 65322559

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide (CID 102724538) is 4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cc(OC)ccc2Br)cc1Cl.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide?
The InChIKey is FXROQIOFDVDOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-20-10-3-5-13(16)9(6-10)8-21-11-2-4-12(15(18)19)14(17)7-11/h2-7H,8H2,1H3,(H3,18,19).
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide?
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide has a molecular weight of 369.65 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide is sourced from PubChem (CID 102724538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).