N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide

C23H21BrN2 — CID 145377330

IUPACN'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide
SMILESC=C(N/C(=N\C(C)c1cccc(Br)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21BrN2/c1-17(19-10-5-3-6-11-19)25-23(20-12-7-4-8-13-20)26-18(2)21-14-9-15-22(24)16-21/h3-16,18H,1H2,2H3,(H,25,26)
InChIKeyGJXUNWXBFRUWDH-UHFFFAOYSA-N
MW405.34 g/mol
LogP6.22
Rot. Bonds5

About N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide

N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide (PubChem CID 145377330) has the molecular formula C23H21BrN2 and a molecular weight of 405.34 g/mol. Its IUPAC name is N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide
PubChem CID145377330
Molecular FormulaC23H21BrN2
Molecular Weight405.34 g/mol
Exact Mass404.09
IUPAC NameN'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide
SMILESC=C(N/C(=N\C(C)c1cccc(Br)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21BrN2/c1-17(19-10-5-3-6-11-19)25-23(20-12-7-4-8-13-20)26-18(2)21-14-9-15-22(24)16-21/h3-16,18H,1H2,2H3,(H,25,26)
InChIKeyGJXUNWXBFRUWDH-UHFFFAOYSA-N
XLogP6.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.34
LogP ≤ 56.22
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

1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
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1-(3-bromophenyl)ethyl benzoate
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N-[(1S)-1-(3-bromophenyl)ethyl]-3-phenylprop-2-yn-1-amine
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1-bromo-3-[phenyl(thionitroso)methyl]benzene
CID 89290809
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
1-bromo-3-(1-chloro-2-phenylpropyl)benzene
CID 91188236
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 81382108
3-(3-bromophenyl)-2-fluorobutanoic acid
CID 130820150
1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine
CID 145243332

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide?
The IUPAC name of N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide (CID 145377330) is N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide.
What is the SMILES notation for N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide?
The canonical SMILES for N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide is C=C(N/C(=N\C(C)c1cccc(Br)c1)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide?
The InChIKey is GJXUNWXBFRUWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2/c1-17(19-10-5-3-6-11-19)25-23(20-12-7-4-8-13-20)26-18(2)21-14-9-15-22(24)16-21/h3-16,18H,1H2,2H3,(H,25,26).
What are the key properties of N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide?
N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide has a molecular weight of 405.34 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide is sourced from PubChem (CID 145377330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).