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

C15H18BrNO3 — CID 115369123

IUPAC4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C15H18BrNO3/c1-17(11-4-6-12(18)7-5-11)15(19)13-8-3-10(16)9-14(13)20-2/h3,8-9,11H,4-7H2,1-2H3
InChIKeyKMFSLVACDNFXIF-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.04
Rot. Bonds3

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

4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 115369123) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID115369123
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C15H18BrNO3/c1-17(11-4-6-12(18)7-5-11)15(19)13-8-3-10(16)9-14(13)20-2/h3,8-9,11H,4-7H2,1-2H3
InChIKeyKMFSLVACDNFXIF-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79119736
4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120141
4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide
CID 115369193
4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 115369622
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
4-bromo-N-(2-bromoethyl)-N-cyclopropyl-2-methoxybenzamide
CID 113296216
3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79726601
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120625
4-bromo-N-(cyanomethyl)-N-cyclopentyl-2-methoxybenzamide
CID 78997563
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 115369123) is 4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide is COc1cc(Br)ccc1C(=O)N(C)C1CCC(=O)CC1.
What is the InChIKey of 4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is KMFSLVACDNFXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-17(11-4-6-12(18)7-5-11)15(19)13-8-3-10(16)9-14(13)20-2/h3,8-9,11H,4-7H2,1-2H3.
What are the key properties of 4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 340.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 115369123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).