N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C19H20FN3 — CID 154647967

IUPACN'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C#N)cc(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C19H20FN3/c1-4-23(3)13-22-19-11-16(12-21)10-17(14(19)2)9-15-5-7-18(20)8-6-15/h5-8,10-11,13H,4,9H2,1-3H3/b22-13+
InChIKeySAONLSRELBCQCG-LPYMAVHISA-N
MW309.39 g/mol
LogP4.21
Rot. Bonds5

About N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 154647967) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID154647967
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC NameN'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C#N)cc(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C19H20FN3/c1-4-23(3)13-22-19-11-16(12-21)10-17(14(19)2)9-15-5-7-18(20)8-6-15/h5-8,10-11,13H,4,9H2,1-3H3/b22-13+
InChIKeySAONLSRELBCQCG-LPYMAVHISA-N
XLogP4.21
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 154647967) is N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C#N)cc(Cc2ccc(F)cc2)c1C.
What is the InChIKey of N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is SAONLSRELBCQCG-LPYMAVHISA-N. The full InChI is InChI=1S/C19H20FN3/c1-4-23(3)13-22-19-11-16(12-21)10-17(14(19)2)9-15-5-7-18(20)8-6-15/h5-8,10-11,13H,4,9H2,1-3H3/b22-13+.
What are the key properties of N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 309.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 154647967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).