4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide

C16H15F3N2O3 — CID 95568429

IUPAC4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide
SMILESCOc1cc(/C(N)=N\OCc2ccccc2F)ccc1OC(F)F
InChIInChI=1S/C16H15F3N2O3/c1-22-14-8-10(6-7-13(14)24-16(18)19)15(20)21-23-9-11-4-2-3-5-12(11)17/h2-8,16H,9H2,1H3,(H2,20,21)
InChIKeyBXMOIVVUBDPLPC-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.27
Rot. Bonds7

About 4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide

4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide (PubChem CID 95568429) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide
PubChem CID95568429
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide
SMILESCOc1cc(/C(N)=N\OCc2ccccc2F)ccc1OC(F)F
InChIInChI=1S/C16H15F3N2O3/c1-22-14-8-10(6-7-13(14)24-16(18)19)15(20)21-23-9-11-4-2-3-5-12(11)17/h2-8,16H,9H2,1H3,(H2,20,21)
InChIKeyBXMOIVVUBDPLPC-UHFFFAOYSA-N
XLogP3.27
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.27
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

4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide
CID 76868595
4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide
CID 60561738
4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 134051463
methyl 5-[[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate
CID 52713751
2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide
CID 55435746
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 40750965
2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 75134683
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-fluorobenzoate
CID 2942074
4-(difluoromethoxy)-N'-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-methoxybenzenecarboximidamide
CID 55501214
N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 60522474
N-(3-acetylphenyl)-2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxypropanamide
CID 55365572
(E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine
CID 154857527

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide (CID 95568429) is 4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide is COc1cc(/C(N)=N\OCc2ccccc2F)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide?
The InChIKey is BXMOIVVUBDPLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-22-14-8-10(6-7-13(14)24-16(18)19)15(20)21-23-9-11-4-2-3-5-12(11)17/h2-8,16H,9H2,1H3,(H2,20,21).
What are the key properties of 4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide?
4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide has a molecular weight of 340.30 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 95568429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).