2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide

C17H25BrN2O — CID 118576559

IUPAC2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide
SMILESCC(C)(C)C1CCC(NC(=O)c2cc(Br)ccc2N)CC1
InChIInChI=1S/C17H25BrN2O/c1-17(2,3)11-4-7-13(8-5-11)20-16(21)14-10-12(18)6-9-15(14)19/h6,9-11,13H,4-5,7-8,19H2,1-3H3,(H,20,21)
InChIKeyCLIRJQMWYXCIFO-UHFFFAOYSA-N
MW353.30 g/mol
LogP4.37
Rot. Bonds2

About 2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide

2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide (PubChem CID 118576559) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide
PubChem CID118576559
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide
SMILESCC(C)(C)C1CCC(NC(=O)c2cc(Br)ccc2N)CC1
InChIInChI=1S/C17H25BrN2O/c1-17(2,3)11-4-7-13(8-5-11)20-16(21)14-10-12(18)6-9-15(14)19/h6,9-11,13H,4-5,7-8,19H2,1-3H3,(H,20,21)
InChIKeyCLIRJQMWYXCIFO-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
CID 61034621
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 61213533
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide?
The IUPAC name of 2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide (CID 118576559) is 2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide?
The canonical SMILES for 2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide is CC(C)(C)C1CCC(NC(=O)c2cc(Br)ccc2N)CC1.
What is the InChIKey of 2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide?
The InChIKey is CLIRJQMWYXCIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-17(2,3)11-4-7-13(8-5-11)20-16(21)14-10-12(18)6-9-15(14)19/h6,9-11,13H,4-5,7-8,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide?
2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide has a molecular weight of 353.30 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide is sourced from PubChem (CID 118576559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).