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

C19H22BrClN2 — CID 3043200

IUPACN-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride
SMILESBrc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H21BrN2.ClH/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);1H
InChIKeyQGYSGQRATLQLFU-UHFFFAOYSA-N
MW393.76 g/mol
LogP6.06
Rot. Bonds3

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

N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride (PubChem CID 3043200) has the molecular formula C19H22BrClN2 and a molecular weight of 393.76 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride
PubChem CID3043200
Molecular FormulaC19H22BrClN2
Molecular Weight393.76 g/mol
Exact Mass392.07
IUPAC NameN-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride
SMILESBrc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H21BrN2.ClH/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);1H
InChIKeyQGYSGQRATLQLFU-UHFFFAOYSA-N
XLogP6.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.76
LogP ≤ 56.06
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;hydrochloride?
The IUPAC name of N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride (CID 3043200) is N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride is Brc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride?
The InChIKey is QGYSGQRATLQLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2.ClH/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);1H.
What are the key properties of N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride?
N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide;hydrochloride has a molecular weight of 393.76 g/mol, XLogP of 6.06, 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;hydrochloride is sourced from PubChem (CID 3043200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).