2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide

C13H17BrN2O2 — CID 75465077

IUPAC2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
SMILESNc1ccc(Br)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H17BrN2O2/c14-8-1-6-12(15)11(7-8)13(18)16-9-2-4-10(17)5-3-9/h1,6-7,9-10,17H,2-5,15H2,(H,16,18)
InChIKeyGYSFIGXUWOXHLB-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.06
Rot. Bonds2

About 2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide

2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 75465077) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
PubChem CID75465077
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
SMILESNc1ccc(Br)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H17BrN2O2/c14-8-1-6-12(15)11(7-8)13(18)16-9-2-4-10(17)5-3-9/h1,6-7,9-10,17H,2-5,15H2,(H,16,18)
InChIKeyGYSFIGXUWOXHLB-UHFFFAOYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(4-tert-butylcyclohexyl)benzamide
CID 118576559
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102704817
2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 114194050
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide (CID 75465077) is 2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide is Nc1ccc(Br)cc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is GYSFIGXUWOXHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-8-1-6-12(15)11(7-8)13(18)16-9-2-4-10(17)5-3-9/h1,6-7,9-10,17H,2-5,15H2,(H,16,18).
What are the key properties of 2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide?
2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 75465077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).