4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide

C14H16BrNO3 — CID 79119736

IUPAC4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Br)cc1O)C1CCC(=O)CC1
InChIInChI=1S/C14H16BrNO3/c1-16(10-3-5-11(17)6-4-10)14(19)12-7-2-9(15)8-13(12)18/h2,7-8,10,18H,3-6H2,1H3
InChIKeyFFBKDINIKLJMLF-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.74
Rot. Bonds2

About 4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide

4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 79119736) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID79119736
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Br)cc1O)C1CCC(=O)CC1
InChIInChI=1S/C14H16BrNO3/c1-16(10-3-5-11(17)6-4-10)14(19)12-7-2-9(15)8-13(12)18/h2,7-8,10,18H,3-6H2,1H3
InChIKeyFFBKDINIKLJMLF-UHFFFAOYSA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120141
4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120625
4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 115369123
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
CID 132991594
4-bromo-N-(4,4-dimethylcyclohexyl)-N-methyl-2-sulfanylbenzamide
CID 107032506
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 81471710
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide
CID 106685019

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 79119736) is 4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide is CN(C(=O)c1ccc(Br)cc1O)C1CCC(=O)CC1.
What is the InChIKey of 4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is FFBKDINIKLJMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-16(10-3-5-11(17)6-4-10)14(19)12-7-2-9(15)8-13(12)18/h2,7-8,10,18H,3-6H2,1H3.
What are the key properties of 4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 326.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 79119736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).