N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide

C20H17BrClN3O2 — CID 155968174

IUPACN'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N\OCc1cccc(Br)c1Cl)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C20H17BrClN3O2/c21-18-5-1-4-16(19(18)22)13-27-25-20(23)15-6-8-17(9-7-15)26-12-14-3-2-10-24-11-14/h1-11H,12-13H2,(H2,23,25)
InChIKeyYIDJVULYIMWJJC-UHFFFAOYSA-N
MW446.73 g/mol
LogP4.91
Rot. Bonds7

About N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide

N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide (PubChem CID 155968174) has the molecular formula C20H17BrClN3O2 and a molecular weight of 446.73 g/mol. Its IUPAC name is N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
PubChem CID155968174
Molecular FormulaC20H17BrClN3O2
Molecular Weight446.73 g/mol
Exact Mass445.02
IUPAC NameN'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N\OCc1cccc(Br)c1Cl)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C20H17BrClN3O2/c21-18-5-1-4-16(19(18)22)13-27-25-20(23)15-6-8-17(9-7-15)26-12-14-3-2-10-24-11-14/h1-11H,12-13H2,(H2,23,25)
InChIKeyYIDJVULYIMWJJC-UHFFFAOYSA-N
XLogP4.91
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.73
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-cyanophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877864
N'-[2-(3-chlorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 52502341
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
N'-[2-(4-fluorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877849
2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
CID 75264610
N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 75264625
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 99085781
(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24709882

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide (CID 155968174) is N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide is N/C(=N\OCc1cccc(Br)c1Cl)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is YIDJVULYIMWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClN3O2/c21-18-5-1-4-16(19(18)22)13-27-25-20(23)15-6-8-17(9-7-15)26-12-14-3-2-10-24-11-14/h1-11H,12-13H2,(H2,23,25).
What are the key properties of N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide?
N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 446.73 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 155968174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).