4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide

C17H18F2N2O3 — CID 134051463

IUPAC4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide
SMILESCOc1cc(/C(N)=N/OCc2cccc(C)c2)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O3/c1-11-4-3-5-12(8-11)10-23-21-16(20)13-6-7-14(24-17(18)19)15(9-13)22-2/h3-9,17H,10H2,1-2H3,(H2,20,21)
InChIKeyRQVHHLYEEOYQQI-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.44
Rot. Bonds7

About 4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide

4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide (PubChem CID 134051463) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide
PubChem CID134051463
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide
SMILESCOc1cc(/C(N)=N/OCc2cccc(C)c2)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O3/c1-11-4-3-5-12(8-11)10-23-21-16(20)13-6-7-14(24-17(18)19)15(9-13)22-2/h3-9,17H,10H2,1-2H3,(H2,20,21)
InChIKeyRQVHHLYEEOYQQI-UHFFFAOYSA-N
XLogP3.44
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.44
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'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 95568429
2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 75134683
methyl 5-[[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate
CID 52713751
4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide
CID 76868595
4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide
CID 60561738
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 9105975
4-(difluoromethoxy)-N'-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-methoxybenzenecarboximidamide
CID 55501214
2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 55515599
[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 4-(difluoromethoxy)-3-methoxybenzoate
CID 19294020
N-(3-acetylphenyl)-2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxypropanamide
CID 55365572
N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 76856045

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide (CID 134051463) is 4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide is COc1cc(/C(N)=N/OCc2cccc(C)c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide?
The InChIKey is RQVHHLYEEOYQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-11-4-3-5-12(8-11)10-23-21-16(20)13-6-7-14(24-17(18)19)15(9-13)22-2/h3-9,17H,10H2,1-2H3,(H2,20,21).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide?
4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide has a molecular weight of 336.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 134051463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).