N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide

C15H12F4N2 — CID 2766783

IUPACN-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
SMILESC/N=C(/Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F4N2/c1-20-14(21-13-7-5-12(16)6-8-13)10-3-2-4-11(9-10)15(17,18)19/h2-9H,1H3,(H,20,21)
InChIKeyMHJYVJCYXZIEKA-UHFFFAOYSA-N
MW296.27 g/mol
LogP4.33
Rot. Bonds2

About N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide

N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 2766783) has the molecular formula C15H12F4N2 and a molecular weight of 296.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID2766783
Molecular FormulaC15H12F4N2
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC NameN-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
SMILESC/N=C(/Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F4N2/c1-20-14(21-13-7-5-12(16)6-8-13)10-3-2-4-11(9-10)15(17,18)19/h2-9H,1H3,(H,20,21)
InChIKeyMHJYVJCYXZIEKA-UHFFFAOYSA-N
XLogP4.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
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

N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 2766802
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7838868
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964
N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 63181749
N-[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]-3-(trifluoromethyl)benzamide
CID 162499129
N'-propan-2-yl-N-pyridin-1-ium-3-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 135737274
N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
CID 3751377
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
1-N-(4-fluorophenyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982389
2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 18224635
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268482

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide (CID 2766783) is N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide is C/N=C(/Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is MHJYVJCYXZIEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2/c1-20-14(21-13-7-5-12(16)6-8-13)10-3-2-4-11(9-10)15(17,18)19/h2-9H,1H3,(H,20,21).
What are the key properties of N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 296.27 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 2766783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).