2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide

C14H16BrNO3 — CID 43652918

IUPAC2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)NC2CCC(=O)CC2)c1
InChIInChI=1S/C14H16BrNO3/c1-19-11-6-7-13(15)12(8-11)14(18)16-9-2-4-10(17)5-3-9/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyARNRRSMSSLTHMF-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.70
Rot. Bonds3

About 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide

2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide (PubChem CID 43652918) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide
PubChem CID43652918
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)NC2CCC(=O)CC2)c1
InChIInChI=1S/C14H16BrNO3/c1-19-11-6-7-13(15)12(8-11)14(18)16-9-2-4-10(17)5-3-9/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyARNRRSMSSLTHMF-UHFFFAOYSA-N
XLogP2.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895
4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808715
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
2-bromo-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-5-methoxybenzamide
CID 23027493
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide
CID 22641648
2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097039

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide (CID 43652918) is 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide is COc1ccc(Br)c(C(=O)NC2CCC(=O)CC2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide?
The InChIKey is ARNRRSMSSLTHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-19-11-6-7-13(15)12(8-11)14(18)16-9-2-4-10(17)5-3-9/h6-9H,2-5H2,1H3,(H,16,18).
What are the key properties of 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide?
2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide has a molecular weight of 326.19 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 43652918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).