N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide

C21H17BrN2 — CID 126728066

IUPACN'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide
SMILESBrc1cccc(C(=N/Cc2ccccc2)/N=C/c2ccccc2)c1
InChIInChI=1S/C21H17BrN2/c22-20-13-7-12-19(14-20)21(23-15-17-8-3-1-4-9-17)24-16-18-10-5-2-6-11-18/h1-15H,16H2/b23-15+,24-21-
InChIKeyKWUREYKBSROIBK-MJWRSECNSA-N
MW377.29 g/mol
LogP5.51
Rot. Bonds4

About N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide

N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide (PubChem CID 126728066) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide
PubChem CID126728066
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC NameN'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide
SMILESBrc1cccc(C(=N/Cc2ccccc2)/N=C/c2ccccc2)c1
InChIInChI=1S/C21H17BrN2/c22-20-13-7-12-19(14-20)21(23-15-17-8-3-1-4-9-17)24-16-18-10-5-2-6-11-18/h1-15H,16H2/b23-15+,24-21-
InChIKeyKWUREYKBSROIBK-MJWRSECNSA-N
XLogP5.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 55.51
H-Bond Donors ≤ 50
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

3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine
CID 174087166
benzyl (NE)-N-[(3-bromophenyl)methylidene]carbamate
CID 57327279
N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide
CID 145016929
1-bromo-3-(3-phenylprop-1-en-2-yl)benzene
CID 174355940
(Z)-2-(3-bromophenyl)-5-phenylpent-2-en-1-ol
CID 19920654
(4-nitrophenyl) N-benzyl-3-bromobenzenecarboximidate
CID 21233959
N'-benzyl-N-benzylidene-3-(3-cyanophenyl)-5-(1,2-dihydrophenanthren-9-yl)benzenecarboximidamide
CID 146209674
2,4-bis(3-bromophenyl)-1,5-diphenylpenta-1,4-dien-3-one
CID 156774836
N'-[(3-bromophenyl)methyl]propanimidamide
CID 63177432
3-bromo-N-(2-phenylethylideneamino)benzamide
CID 4684181
(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine
CID 143099574
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 2828054

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide?
The IUPAC name of N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide (CID 126728066) is N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide?
The canonical SMILES for N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide is Brc1cccc(C(=N/Cc2ccccc2)/N=C/c2ccccc2)c1.
What is the InChIKey of N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide?
The InChIKey is KWUREYKBSROIBK-MJWRSECNSA-N. The full InChI is InChI=1S/C21H17BrN2/c22-20-13-7-12-19(14-20)21(23-15-17-8-3-1-4-9-17)24-16-18-10-5-2-6-11-18/h1-15H,16H2/b23-15+,24-21-.
What are the key properties of N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide?
N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide has a molecular weight of 377.29 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide is sourced from PubChem (CID 126728066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).