N,2,2-triphenylethanimidoyl bromide

C20H16BrN — CID 134873413

IUPACN,2,2-triphenylethanimidoyl bromide
SMILESBr/C(=N\c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16BrN/c21-20(22-18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H/b22-20-
InChIKeyOONXAGFREJMSNL-XDOYNYLZSA-N
MW350.26 g/mol
LogP5.94
Rot. Bonds4

About N,2,2-triphenylethanimidoyl bromide

N,2,2-triphenylethanimidoyl bromide (PubChem CID 134873413) has the molecular formula C20H16BrN and a molecular weight of 350.26 g/mol. Its IUPAC name is N,2,2-triphenylethanimidoyl bromide.

Molecular Properties

Compound NameN,2,2-triphenylethanimidoyl bromide
PubChem CID134873413
Molecular FormulaC20H16BrN
Molecular Weight350.26 g/mol
Exact Mass349.05
IUPAC NameN,2,2-triphenylethanimidoyl bromide
SMILESBr/C(=N\c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16BrN/c21-20(22-18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H/b22-20-
InChIKeyOONXAGFREJMSNL-XDOYNYLZSA-N
XLogP5.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.26
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
dibromoiron;2-N,3-N-diphenylbutane-2,3-diimine
CID 164938268
methyl 2-methoxy-N,2-diphenylethanimidate
CID 23264164
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
bis(2-phenylguanidine);dihydrochloride
CID 160984545
2-phenyliminopropane-1,3-diol
CID 159189915
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
N-acetyl-N'-phenylcarbamimidoyl bromide
CID 137297946
1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone
CID 174554384
sodium 2,2-diphenylethanethioate
CID 88787472
1,3-diamino-2-phenylguanidine;hydroiodide
CID 12727461

Frequently Asked Questions

What is the IUPAC name of N,2,2-triphenylethanimidoyl bromide?
The IUPAC name of N,2,2-triphenylethanimidoyl bromide (CID 134873413) is N,2,2-triphenylethanimidoyl bromide.
What is the SMILES notation for N,2,2-triphenylethanimidoyl bromide?
The canonical SMILES for N,2,2-triphenylethanimidoyl bromide is Br/C(=N\c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N,2,2-triphenylethanimidoyl bromide?
The InChIKey is OONXAGFREJMSNL-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H16BrN/c21-20(22-18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H/b22-20-.
What are the key properties of N,2,2-triphenylethanimidoyl bromide?
N,2,2-triphenylethanimidoyl bromide has a molecular weight of 350.26 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triphenylethanimidoyl bromide is sourced from PubChem (CID 134873413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).