3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide

C14H12ClFN2O — CID 114849637

IUPAC3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H12ClFN2O/c15-11-5-4-10(13(16)7-11)8-19-12-3-1-2-9(6-12)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyPPRSSBZYYMTUIF-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.34
Rot. Bonds4

About 3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide

3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 114849637) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
PubChem CID114849637
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H12ClFN2O/c15-11-5-4-10(13(16)7-11)8-19-12-3-1-2-9(6-12)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyPPRSSBZYYMTUIF-UHFFFAOYSA-N
XLogP3.34
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.34
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

3-[(5-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 103046763
3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
CID 175793778
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059
3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 82918831
2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849646
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 55045519
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
3-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 115514127
3-[[3-[(3-carbamimidoylphenoxy)methyl]-5-methylphenyl]methoxy]benzenecarboximidamide;dihydrochloride
CID 156508315
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 102856104
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
4-[(2-fluorophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 42656905

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide (CID 114849637) is 3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCc2ccc(Cl)cc2F)c1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is PPRSSBZYYMTUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-5-4-10(13(16)7-11)8-19-12-3-1-2-9(6-12)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 278.71 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 114849637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).