N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide

C13H17BrN2O2 — CID 55038314

IUPACN-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
SMILESNC1CCC(NC(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C13H17BrN2O2/c14-8-1-6-11(12(17)7-8)13(18)16-10-4-2-9(15)3-5-10/h1,6-7,9-10,17H,2-5,15H2,(H,16,18)
InChIKeyQHUUUONKRZRVSH-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.15
Rot. Bonds2

About N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide

N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide (PubChem CID 55038314) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
PubChem CID55038314
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
SMILESNC1CCC(NC(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C13H17BrN2O2/c14-8-1-6-11(12(17)7-8)13(18)16-10-4-2-9(15)3-5-10/h1,6-7,9-10,17H,2-5,15H2,(H,16,18)
InChIKeyQHUUUONKRZRVSH-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535
N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide
CID 66187922
4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 78980766
4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
CID 63625545
N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281549
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide
CID 112753008
4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65471077
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 113346668
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 96505596
2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide (CID 55038314) is N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide is NC1CCC(NC(=O)c2ccc(Br)cc2O)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide?
The InChIKey is QHUUUONKRZRVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-8-1-6-11(12(17)7-8)13(18)16-10-4-2-9(15)3-5-10/h1,6-7,9-10,17H,2-5,15H2,(H,16,18).
What are the key properties of N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide?
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide has a molecular weight of 313.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide is sourced from PubChem (CID 55038314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).