N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride

C20H18ClF2N3O — CID 67781094

IUPACN'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\c1ccccc1-c1ncccc1OCc1c(F)cccc1F.Cl
InChIInChI=1S/C20H17F2N3O.ClH/c1-13(23)25-18-9-3-2-6-14(18)20-19(10-5-11-24-20)26-12-15-16(21)7-4-8-17(15)22;/h2-11H,12H2,1H3,(H2,23,25);1H
InChIKeyXVLHHCFGFZPDED-UHFFFAOYSA-N
MW389.83 g/mol
LogP5.04
Rot. Bonds5

About N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride

N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride (PubChem CID 67781094) has the molecular formula C20H18ClF2N3O and a molecular weight of 389.83 g/mol. Its IUPAC name is N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride
PubChem CID67781094
Molecular FormulaC20H18ClF2N3O
Molecular Weight389.83 g/mol
Exact Mass389.11
IUPAC NameN'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\c1ccccc1-c1ncccc1OCc1c(F)cccc1F.Cl
InChIInChI=1S/C20H17F2N3O.ClH/c1-13(23)25-18-9-3-2-6-14(18)20-19(10-5-11-24-20)26-12-15-16(21)7-4-8-17(15)22;/h2-11H,12H2,1H3,(H2,23,25);1H
InChIKeyXVLHHCFGFZPDED-UHFFFAOYSA-N
XLogP5.04
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.83
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide
CID 54550623
2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine
CID 54348508
N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide;hydrochloride
CID 67780971
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
N'-(2-fluoro-3-methoxyphenyl)ethanimidamide
CID 164652328
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
CID 10356638
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
2-fluoro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 55108152
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76905309
2-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 103978417

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride?
The IUPAC name of N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride (CID 67781094) is N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride?
The canonical SMILES for N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride is C/C(N)=N\c1ccccc1-c1ncccc1OCc1c(F)cccc1F.Cl.
What is the InChIKey of N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride?
The InChIKey is XVLHHCFGFZPDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O.ClH/c1-13(23)25-18-9-3-2-6-14(18)20-19(10-5-11-24-20)26-12-15-16(21)7-4-8-17(15)22;/h2-11H,12H2,1H3,(H2,23,25);1H.
What are the key properties of N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride?
N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride has a molecular weight of 389.83 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 67781094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).