N'-benzyl-N-(2-bromophenyl)ethanimidamide

C15H15BrN2 — CID 101156880

IUPACN'-benzyl-N-(2-bromophenyl)ethanimidamide
SMILESC/C(=N\Cc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C15H15BrN2/c1-12(17-11-13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)16/h2-10H,11H2,1H3,(H,17,18)
InChIKeyULEHHARARAFMBB-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.48
Rot. Bonds3

About N'-benzyl-N-(2-bromophenyl)ethanimidamide

N'-benzyl-N-(2-bromophenyl)ethanimidamide (PubChem CID 101156880) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is N'-benzyl-N-(2-bromophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-benzyl-N-(2-bromophenyl)ethanimidamide
PubChem CID101156880
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC NameN'-benzyl-N-(2-bromophenyl)ethanimidamide
SMILESC/C(=N\Cc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C15H15BrN2/c1-12(17-11-13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)16/h2-10H,11H2,1H3,(H,17,18)
InChIKeyULEHHARARAFMBB-UHFFFAOYSA-N
XLogP4.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.48
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,N''-Bis(4-bromo-2-methylphenyl)guanidine
CID 14125583
2-(4'-Bromophenylamino)-3,4-dihydroquinoline
CID 2318144
1-(4-Bromo-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 12148065
2-(2-Bromophenyl)-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45262005
2-(3-Bromophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45262086
2-Methyl-3,4-dihydroquinazoline
CID 12220195
N,N''-Bis-(4-bromo-2-methyl-phenyl)-acetamidine
CID 15379806
Benzenecarboximidamide, N-(4-bromophenyl)-N'-cyclohexyl-, monohydrochloride
CID 3043200
N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride
CID 45260627
N,N'-bis(2-methylphenyl)ethanimidamide
CID 252230
N-(4-bromophenyl)-2,3,4,5,6,7-hexahydroazocin-8-amine
CID 2382407
N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide
CID 154719417

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-bromophenyl)ethanimidamide?
The IUPAC name of N'-benzyl-N-(2-bromophenyl)ethanimidamide (CID 101156880) is N'-benzyl-N-(2-bromophenyl)ethanimidamide.
What is the SMILES notation for N'-benzyl-N-(2-bromophenyl)ethanimidamide?
The canonical SMILES for N'-benzyl-N-(2-bromophenyl)ethanimidamide is C/C(=N\Cc1ccccc1)Nc1ccccc1Br.
What is the InChIKey of N'-benzyl-N-(2-bromophenyl)ethanimidamide?
The InChIKey is ULEHHARARAFMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-12(17-11-13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)16/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of N'-benzyl-N-(2-bromophenyl)ethanimidamide?
N'-benzyl-N-(2-bromophenyl)ethanimidamide has a molecular weight of 303.20 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-bromophenyl)ethanimidamide is sourced from PubChem (CID 101156880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).