1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine

C18H15F2N3 — CID 154084915

IUPAC1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine
SMILESCc1ccc(F)c(N/C(N)=N/c2ccc(F)c3ccccc23)c1
InChIInChI=1S/C18H15F2N3/c1-11-6-7-15(20)17(10-11)23-18(21)22-16-9-8-14(19)12-4-2-3-5-13(12)16/h2-10H,1H3,(H3,21,22,23)
InChIKeyVBFLTPNMNUYKMD-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.48
Rot. Bonds2

About 1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine

1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine (PubChem CID 154084915) has the molecular formula C18H15F2N3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine
PubChem CID154084915
Molecular FormulaC18H15F2N3
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine
SMILESCc1ccc(F)c(N/C(N)=N/c2ccc(F)c3ccccc23)c1
InChIInChI=1S/C18H15F2N3/c1-11-6-7-15(20)17(10-11)23-18(21)22-16-9-8-14(19)12-4-2-3-5-13(12)16/h2-10H,1H3,(H3,21,22,23)
InChIKeyVBFLTPNMNUYKMD-UHFFFAOYSA-N
XLogP4.48
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride
CID 22121814
1-(2-fluoro-5-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62378730
1-(2,5-difluorophenyl)-2-methylguanidine
CID 62379981
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
N-(2-fluoro-5-methylphenyl)-2-hydrazinylbenzamide
CID 62243099
N-(2-fluoro-5-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80596832
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
1-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 22120056
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
1-amino-2-(2-fluoro-4-methylphenyl)-3-phenylguanidine
CID 116512637
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
chloromethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 164652670

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine (CID 154084915) is 1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine is Cc1ccc(F)c(N/C(N)=N/c2ccc(F)c3ccccc23)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine?
The InChIKey is VBFLTPNMNUYKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3/c1-11-6-7-15(20)17(10-11)23-18(21)22-16-9-8-14(19)12-4-2-3-5-13(12)16/h2-10H,1H3,(H3,21,22,23).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine?
1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine has a molecular weight of 311.34 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine is sourced from PubChem (CID 154084915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).