N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide

C16H17FN2O3 — CID 60522474

IUPACN'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/OCc2cc(F)ccc2OC)cc1
InChIInChI=1S/C16H17FN2O3/c1-20-14-6-3-11(4-7-14)16(18)19-22-10-12-9-13(17)5-8-15(12)21-2/h3-9H,10H2,1-2H3,(H2,18,19)
InChIKeyAVHZLXRPRUPODK-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.68
Rot. Bonds6

About N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide

N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide (PubChem CID 60522474) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide
PubChem CID60522474
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/OCc2cc(F)ccc2OC)cc1
InChIInChI=1S/C16H17FN2O3/c1-20-14-6-3-11(4-7-14)16(18)19-22-10-12-9-13(17)5-8-15(12)21-2/h3-9H,10H2,1-2H3,(H2,18,19)
InChIKeyAVHZLXRPRUPODK-UHFFFAOYSA-N
XLogP2.68
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.68
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

[[amino-(4-methoxyphenyl)methylidene]amino] 3-fluorobenzoate
CID 2876742
4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 95568429
[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 17373666
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
bis[(5-fluoro-2-methoxyphenyl)methyl] (E)-but-2-enedioate
CID 9010730
4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide
CID 60522448
3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 53417201
(5-fluoro-2-methoxyphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949466
(E)-3-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 19558612
N'-hydroxy-4-[(2-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76917582
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate
CID 46500526
[[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dimethoxybenzoate
CID 3296382

Frequently Asked Questions

What is the IUPAC name of N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide?
The IUPAC name of N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide (CID 60522474) is N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide?
The canonical SMILES for N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide is COc1ccc(/C(N)=N/OCc2cc(F)ccc2OC)cc1.
What is the InChIKey of N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide?
The InChIKey is AVHZLXRPRUPODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-20-14-6-3-11(4-7-14)16(18)19-22-10-12-9-13(17)5-8-15(12)21-2/h3-9H,10H2,1-2H3,(H2,18,19).
What are the key properties of N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide?
N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide has a molecular weight of 304.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 60522474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).