N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide

C20H17ClFN3O2 — CID 75264625

IUPACN'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESNC(=NOCc1c(F)cccc1Cl)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H17ClFN3O2/c21-18-7-2-8-19(22)17(18)13-27-25-20(23)15-5-1-6-16(10-15)26-12-14-4-3-9-24-11-14/h1-11H,12-13H2,(H2,23,25)
InChIKeyXQDWOJBGTLSITK-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.29
Rot. Bonds7

About N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide

N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide (PubChem CID 75264625) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
PubChem CID75264625
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESNC(=NOCc1c(F)cccc1Cl)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H17ClFN3O2/c21-18-7-2-8-19(22)17(18)13-27-25-20(23)15-5-1-6-16(10-15)26-12-14-4-3-9-24-11-14/h1-11H,12-13H2,(H2,23,25)
InChIKeyXQDWOJBGTLSITK-UHFFFAOYSA-N
XLogP4.29
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.29
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-(3-chlorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 52502341
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
N'-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60609695
N'-[2-(4-fluorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877849
N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 155968174
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 75264624
3-fluoro-N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 107666338
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N'-[(2-cyanophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877864
N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 52530546

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide (CID 75264625) is N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide is NC(=NOCc1c(F)cccc1Cl)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is XQDWOJBGTLSITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-18-7-2-8-19(22)17(18)13-27-25-20(23)15-5-1-6-16(10-15)26-12-14-4-3-9-24-11-14/h1-11H,12-13H2,(H2,23,25).
What are the key properties of N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 385.83 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 75264625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).