N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide

C15H11ClF4N2 — CID 20706460

IUPACN'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF4N2/c16-11-3-1-2-9(6-11)8-22-14(21)10-4-5-13(17)12(7-10)15(18,19)20/h1-7H,8H2,(H2,21,22)
InChIKeyHVIWZJCYHNUYDN-UHFFFAOYSA-N
MW330.71 g/mol
LogP4.40
Rot. Bonds3

About N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide

N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 20706460) has the molecular formula C15H11ClF4N2 and a molecular weight of 330.71 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID20706460
Molecular FormulaC15H11ClF4N2
Molecular Weight330.71 g/mol
Exact Mass330.05
IUPAC NameN'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF4N2/c16-11-3-1-2-9(6-11)8-22-14(21)10-4-5-13(17)12(7-10)15(18,19)20/h1-7H,8H2,(H2,21,22)
InChIKeyHVIWZJCYHNUYDN-UHFFFAOYSA-N
XLogP4.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.71
LogP ≤ 54.40
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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Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide (CID 20706460) is N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide is N/C(=N\Cc1cccc(Cl)c1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is HVIWZJCYHNUYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4N2/c16-11-3-1-2-9(6-11)8-22-14(21)10-4-5-13(17)12(7-10)15(18,19)20/h1-7H,8H2,(H2,21,22).
What are the key properties of N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide?
N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 330.71 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 20706460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).