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

C15H12BrF3N2 — CID 2766802

IUPACN-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
SMILESC/N=C(/Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12BrF3N2/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)
InChIKeySGZRELKVVVZWQP-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.96
Rot. Bonds2

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

N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 2766802) has the molecular formula C15H12BrF3N2 and a molecular weight of 357.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID2766802
Molecular FormulaC15H12BrF3N2
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC NameN-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
SMILESC/N=C(/Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12BrF3N2/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)
InChIKeySGZRELKVVVZWQP-UHFFFAOYSA-N
XLogP4.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.96
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-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide (CID 2766802) is N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide is C/N=C(/Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is SGZRELKVVVZWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2/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-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 357.17 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 2766802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).