N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide

C17H23BrN2O2 — CID 108959030

IUPACN-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(Br)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H23BrN2O2/c1-17(2,15(21)19-13-6-4-3-5-7-13)16(22)20-14-10-8-12(18)9-11-14/h8-11,13H,3-7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUIVBDIPBQHURRA-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.86
Rot. Bonds4

About N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide

N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide (PubChem CID 108959030) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
PubChem CID108959030
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC NameN-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(Br)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H23BrN2O2/c1-17(2,15(21)19-13-6-4-3-5-7-13)16(22)20-14-10-8-12(18)9-11-14/h8-11,13H,3-7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUIVBDIPBQHURRA-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959069
N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108959064
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959020
N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108957499

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide (CID 108959030) is N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc(Br)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
The InChIKey is UIVBDIPBQHURRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-17(2,15(21)19-13-6-4-3-5-7-13)16(22)20-14-10-8-12(18)9-11-14/h8-11,13H,3-7H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide has a molecular weight of 367.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).