2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide

C15H14ClFN2O — CID 103038181

IUPAC2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-11(3-6-14(13)17)9-20-12-4-1-10(2-5-12)8-15(18)19/h1-7H,8-9H2,(H3,18,19)
InChIKeyNZUUEYKGXQYTLY-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.54
Rot. Bonds5

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

2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide (PubChem CID 103038181) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide
PubChem CID103038181
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-11(3-6-14(13)17)9-20-12-4-1-10(2-5-12)8-15(18)19/h1-7H,8-9H2,(H3,18,19)
InChIKeyNZUUEYKGXQYTLY-UHFFFAOYSA-N
XLogP3.54
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.54
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

4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanimidamide
CID 43332381
2-(3-chloro-4-fluorophenoxy)ethanimidamide
CID 63878137
ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate
CID 103037722
2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
CID 43646216
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037850
4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide
CID 63880209
3-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 103040611
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide?
The IUPAC name of 2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide (CID 103038181) is 2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide?
The canonical SMILES for 2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(OCc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide?
The InChIKey is NZUUEYKGXQYTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-7-11(3-6-14(13)17)9-20-12-4-1-10(2-5-12)8-15(18)19/h1-7H,8-9H2,(H3,18,19).
What are the key properties of 2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide?
2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide has a molecular weight of 292.74 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide is sourced from PubChem (CID 103038181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).