2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide

C15H14ClFN2O — CID 169368086

IUPAC2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14ClFN2O/c16-9-15(18)19-13-5-7-14(8-6-13)20-10-11-1-3-12(17)4-2-11/h1-8H,9-10H2,(H2,18,19)
InChIKeyNJMAROKUQUXYKI-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.63
Rot. Bonds5

About 2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide

2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide (PubChem CID 169368086) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide
PubChem CID169368086
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14ClFN2O/c16-9-15(18)19-13-5-7-14(8-6-13)20-10-11-1-3-12(17)4-2-11/h1-8H,9-10H2,(H2,18,19)
InChIKeyNJMAROKUQUXYKI-UHFFFAOYSA-N
XLogP3.63
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[4-[(4-methylphenyl)methoxy]phenyl]ethanimidamide
CID 169368212
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 24692353
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
5-[[4-[(1-amino-2-chloroethylidene)amino]phenoxy]methyl]furan-2-carboxylic acid
CID 169368214
2-chloro-N'-[4-(2,2-dimethylpropoxy)phenyl]ethanimidamide
CID 169368507
2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide
CID 169368088
2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide
CID 169367117
2-[4-[(1-amino-2-chloroethylidene)amino]phenoxy]ethyl-trimethylazanium
CID 169369058
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
1-azido-4-[(4-fluorophenyl)methoxy]benzene
CID 150502855
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
1-fluoro-4-(phenoxymethyl)benzene
CID 957495

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide (CID 169368086) is 2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide?
The InChIKey is NJMAROKUQUXYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-9-15(18)19-13-5-7-14(8-6-13)20-10-11-1-3-12(17)4-2-11/h1-8H,9-10H2,(H2,18,19).
What are the key properties of 2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide?
2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide has a molecular weight of 292.74 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide is sourced from PubChem (CID 169368086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).