N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide

C16H16Br2N2 — CID 15379806

IUPACN,N'-bis(4-bromo-2-methylphenyl)ethanimidamide
SMILESC/C(=N\c1ccc(Br)cc1C)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H16Br2N2/c1-10-8-13(17)4-6-15(10)19-12(3)20-16-7-5-14(18)9-11(16)2/h4-9H,1-3H3,(H,19,20)
InChIKeyZNCZYOQIKIPHMM-UHFFFAOYSA-N
MW396.13 g/mol
LogP5.99
Rot. Bonds2

About N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide

N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide (PubChem CID 15379806) has the molecular formula C16H16Br2N2 and a molecular weight of 396.13 g/mol. Its IUPAC name is N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN,N'-bis(4-bromo-2-methylphenyl)ethanimidamide
PubChem CID15379806
Molecular FormulaC16H16Br2N2
Molecular Weight396.13 g/mol
Exact Mass393.97
IUPAC NameN,N'-bis(4-bromo-2-methylphenyl)ethanimidamide
SMILESC/C(=N\c1ccc(Br)cc1C)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H16Br2N2/c1-10-8-13(17)4-6-15(10)19-12(3)20-16-7-5-14(18)9-11(16)2/h4-9H,1-3H3,(H,19,20)
InChIKeyZNCZYOQIKIPHMM-UHFFFAOYSA-N
XLogP5.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.13
LogP ≤ 55.99
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

6-Bromo-2-phenylquinazoline-4(3H)-thione
CID 921583
N,N''-Bis(4-bromo-2-methylphenyl)guanidine
CID 14125583
2-(4'-Bromophenylamino)-3,4-dihydroquinoline
CID 2318144
N-(3-aminopropyl)-N'-[3-[(7-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-ylidene)amino]propyl]butane-1,4-diamine;hydrochloride
CID 136032530
Benzenecarboximidamide, N-(4-bromophenyl)-N'-cyclohexyl-, monohydrochloride
CID 3043200
N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride
CID 45264555
N,N'-bis(2-methylphenyl)ethanimidamide
CID 252230
N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide
CID 154719417
6,8-Dibromo-2-(methylethyl)-3-hydroquinazoline-4-thione
CID 4664898
[(1E)-2-(4-bromo-3-methylphenyl)-2-azavinyl](4-bromo-3-methylphenyl)amine
CID 4358897
N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide
CID 44552291
N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide
CID 154719416

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide?
The IUPAC name of N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide (CID 15379806) is N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide.
What is the SMILES notation for N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide?
The canonical SMILES for N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide is C/C(=N\c1ccc(Br)cc1C)Nc1ccc(Br)cc1C.
What is the InChIKey of N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide?
The InChIKey is ZNCZYOQIKIPHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2/c1-10-8-13(17)4-6-15(10)19-12(3)20-16-7-5-14(18)9-11(16)2/h4-9H,1-3H3,(H,19,20).
What are the key properties of N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide?
N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide has a molecular weight of 396.13 g/mol, XLogP of 5.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-bromo-2-methylphenyl)ethanimidamide is sourced from PubChem (CID 15379806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).