N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide

C15H13F3N2O — CID 135071649

IUPACN'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide
SMILESCOc1ccc(/N=C(\N)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c1-21-11-8-6-10(7-9-11)20-14(19)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3,(H2,19,20)
InChIKeySBKMGCXTUQHSIT-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.75
Rot. Bonds3

About N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide

N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 135071649) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID135071649
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide
SMILESCOc1ccc(/N=C(\N)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c1-21-11-8-6-10(7-9-11)20-14(19)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3,(H2,19,20)
InChIKeySBKMGCXTUQHSIT-UHFFFAOYSA-N
XLogP3.75
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
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'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide (CID 135071649) is N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide is COc1ccc(/N=C(\N)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is SBKMGCXTUQHSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-21-11-8-6-10(7-9-11)20-14(19)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3,(H2,19,20).
What are the key properties of N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide?
N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 294.28 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 135071649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).