2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide

C14H11Cl2FN2O — CID 43609384

IUPAC2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-9-5-4-8(6-10(9)16)7-20-12-3-1-2-11(17)13(12)14(18)19/h1-6H,7H2,(H3,18,19)
InChIKeyIIACXIWMGKALRI-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.00
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide

2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide (PubChem CID 43609384) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
PubChem CID43609384
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-9-5-4-8(6-10(9)16)7-20-12-3-1-2-11(17)13(12)14(18)19/h1-6H,7H2,(H3,18,19)
InChIKeyIIACXIWMGKALRI-UHFFFAOYSA-N
XLogP4.00
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 43609327
2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide
CID 107881174
2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849646
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 64566908
2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79523185
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide (CID 43609384) is 2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide?
The InChIKey is IIACXIWMGKALRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-9-5-4-8(6-10(9)16)7-20-12-3-1-2-11(17)13(12)14(18)19/h1-6H,7H2,(H3,18,19).
What are the key properties of 2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide?
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide has a molecular weight of 313.16 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 43609384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).