N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide

C18H20F2N2 — CID 146197682

IUPACN-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2ccc(F)cc2)cc1F
InChIInChI=1S/C18H20F2N2/c1-4-22(3)12-21-18-9-13(2)15(11-17(18)20)10-14-5-7-16(19)8-6-14/h5-9,11-12H,4,10H2,1-3H3/b21-12+
InChIKeyVXJDMSPLQDHDJN-CIAFOILYSA-N
MW302.37 g/mol
LogP4.48
Rot. Bonds5

About N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide (PubChem CID 146197682) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide
PubChem CID146197682
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2ccc(F)cc2)cc1F
InChIInChI=1S/C18H20F2N2/c1-4-22(3)12-21-18-9-13(2)15(11-17(18)20)10-14-5-7-16(19)8-6-14/h5-9,11-12H,4,10H2,1-3H3/b21-12+
InChIKeyVXJDMSPLQDHDJN-CIAFOILYSA-N
XLogP4.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide (CID 146197682) is N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Cc2ccc(F)cc2)cc1F.
What is the InChIKey of N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide?
The InChIKey is VXJDMSPLQDHDJN-CIAFOILYSA-N. The full InChI is InChI=1S/C18H20F2N2/c1-4-22(3)12-21-18-9-13(2)15(11-17(18)20)10-14-5-7-16(19)8-6-14/h5-9,11-12H,4,10H2,1-3H3/b21-12+.
What are the key properties of N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide has a molecular weight of 302.37 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 146197682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).