N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide

C20H17BrN2 — CID 4779287

IUPACN-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
SMILESCc1ccccc1/N=C(/Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C20H17BrN2/c1-15-7-5-6-10-19(15)23-20(16-8-3-2-4-9-16)22-18-13-11-17(21)12-14-18/h2-14H,1H3,(H,22,23)
InChIKeyRPOLLSWGJGAJON-UHFFFAOYSA-N
MW365.27 g/mol
LogP5.95
Rot. Bonds3

About N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide

N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide (PubChem CID 4779287) has the molecular formula C20H17BrN2 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
PubChem CID4779287
Molecular FormulaC20H17BrN2
Molecular Weight365.27 g/mol
Exact Mass364.06
IUPAC NameN-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
SMILESCc1ccccc1/N=C(/Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C20H17BrN2/c1-15-7-5-6-10-19(15)23-20(16-8-3-2-4-9-16)22-18-13-11-17(21)12-14-18/h2-14H,1H3,(H,22,23)
InChIKeyRPOLLSWGJGAJON-UHFFFAOYSA-N
XLogP5.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.27
LogP ≤ 55.95
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'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339966
N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide
CID 102484487
4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide
CID 3326849
N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide
CID 3043201
N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide
CID 4779414
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide
CID 57380497
N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
CID 160707040
N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
CID 3672050
1-(4-bromophenyl)-3-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]thiourea
CID 2873060

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide?
The IUPAC name of N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide (CID 4779287) is N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide is Cc1ccccc1/N=C(/Nc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide?
The InChIKey is RPOLLSWGJGAJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2/c1-15-7-5-6-10-19(15)23-20(16-8-3-2-4-9-16)22-18-13-11-17(21)12-14-18/h2-14H,1H3,(H,22,23).
What are the key properties of N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide?
N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide has a molecular weight of 365.27 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 4779287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).