N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide

C19H21BrN2 — CID 3043201

IUPACN-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide
SMILESBrc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21BrN2/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22)
InChIKeyJQGSUUQCCYJLDE-UHFFFAOYSA-N
MW357.29 g/mol
LogP5.64
Rot. Bonds3

About N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide

N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide (PubChem CID 3043201) has the molecular formula C19H21BrN2 and a molecular weight of 357.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide
PubChem CID3043201
Molecular FormulaC19H21BrN2
Molecular Weight357.29 g/mol
Exact Mass356.09
IUPAC NameN-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide
SMILESBrc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21BrN2/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22)
InChIKeyJQGSUUQCCYJLDE-UHFFFAOYSA-N
XLogP5.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.29
LogP ≤ 55.64
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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide?
The IUPAC name of N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide (CID 3043201) is N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide?
The canonical SMILES for N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide is Brc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide?
The InChIKey is JQGSUUQCCYJLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22).
What are the key properties of N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide?
N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide has a molecular weight of 357.29 g/mol, XLogP of 5.64, 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'-cyclohexylbenzenecarboximidamide is sourced from PubChem (CID 3043201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).