2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine

C20H18ClFN4O — CID 54348508

IUPAC2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine
SMILESCN(C(N)=Nc1ncccc1OCc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C20H18ClFN4O/c1-26(14-7-3-2-4-8-14)20(23)25-19-18(11-6-12-24-19)27-13-15-16(21)9-5-10-17(15)22/h2-12H,13H2,1H3,(H2,23,24,25)
InChIKeyUDZUPVNJPXVVBI-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.54
Rot. Bonds5

About 2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine

2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine (PubChem CID 54348508) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine.

Molecular Properties

Compound Name2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine
PubChem CID54348508
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine
SMILESCN(C(N)=Nc1ncccc1OCc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C20H18ClFN4O/c1-26(14-7-3-2-4-8-14)20(23)25-19-18(11-6-12-24-19)27-13-15-16(21)9-5-10-17(15)22/h2-12H,13H2,1H3,(H2,23,24,25)
InChIKeyUDZUPVNJPXVVBI-UHFFFAOYSA-N
XLogP4.54
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.54
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-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76905309
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170865688
N'-[2-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]phenyl]ethanimidamide;hydrochloride
CID 67781094
3-[(2-chloro-6-fluorophenyl)methoxy]pyridazine
CID 134102120
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
N'-[3-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride
CID 67780700
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 51990859
N'-[3-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide;hydrochloride
CID 67780801
3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 60723029

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine?
The IUPAC name of 2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine (CID 54348508) is 2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine.
What is the SMILES notation for 2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine?
The canonical SMILES for 2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine is CN(C(N)=Nc1ncccc1OCc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine?
The InChIKey is UDZUPVNJPXVVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-26(14-7-3-2-4-8-14)20(23)25-19-18(11-6-12-24-19)27-13-15-16(21)9-5-10-17(15)22/h2-12H,13H2,1H3,(H2,23,24,25).
What are the key properties of 2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine?
2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine has a molecular weight of 384.84 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine is sourced from PubChem (CID 54348508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).