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

C14H10F3IN2 — CID 135071790

IUPACN'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(I)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3IN2/c15-14(16,17)12-4-2-1-3-11(12)13(19)20-10-7-5-9(18)6-8-10/h1-8H,(H2,19,20)
InChIKeyLLUQAIDYBNXVIZ-UHFFFAOYSA-N
MW390.15 g/mol
LogP4.35
Rot. Bonds2

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

N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 135071790) has the molecular formula C14H10F3IN2 and a molecular weight of 390.15 g/mol. Its IUPAC name is N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID135071790
Molecular FormulaC14H10F3IN2
Molecular Weight390.15 g/mol
Exact Mass389.98
IUPAC NameN'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(I)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3IN2/c15-14(16,17)12-4-2-1-3-11(12)13(19)20-10-7-5-9(18)6-8-10/h1-8H,(H2,19,20)
InChIKeyLLUQAIDYBNXVIZ-UHFFFAOYSA-N
XLogP4.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.15
LogP ≤ 54.35
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-Phenylbenzamidine
CID 200127
Benzamidine, N-phenyl-, monohydrochloride
CID 200126
3-(4-Propan-2-ylphenyl)iminoisoindol-1-amine
CID 2312941
4-methyl-N-phenylbenzenecarboximidamide
CID 341821
3-Phenyliminoisoindol-1-amine
CID 705539
Benzeneethanimidamide, N-phenyl-
CID 201919
N'-hydroxy-N-phenyl-3-(trifluoromethyl)benzenecarboximidamide
CID 2727248
3-(4-Ethylphenyl)imino-1-isoindolamine
CID 705527
3-(2-Methylphenyl)iminoisoindol-1-amine
CID 2309618
3-(3-Methylphenyl)iminoisoindol-1-amine
CID 2307963
2-amino-N'-phenylbenzenecarboximidamide
CID 397632
Benzamidine, N-(m-fluorophenyl)-
CID 210828

Frequently Asked Questions

What is the IUPAC name of N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide (CID 135071790) is N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide is N/C(=N\c1ccc(I)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is LLUQAIDYBNXVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IN2/c15-14(16,17)12-4-2-1-3-11(12)13(19)20-10-7-5-9(18)6-8-10/h1-8H,(H2,19,20).
What are the key properties of N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide?
N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 390.15 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 135071790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).