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

C14H15BrFNO2 — CID 79120141

IUPAC4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Br)cc1F)C1CCC(=O)CC1
InChIInChI=1S/C14H15BrFNO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-7-2-9(15)8-13(12)16/h2,7-8,10H,3-6H2,1H3
InChIKeyQXDUWGPEAOWDMD-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.17
Rot. Bonds2

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

4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 79120141) has the molecular formula C14H15BrFNO2 and a molecular weight of 328.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID79120141
Molecular FormulaC14H15BrFNO2
Molecular Weight328.18 g/mol
Exact Mass327.03
IUPAC Name4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Br)cc1F)C1CCC(=O)CC1
InChIInChI=1S/C14H15BrFNO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-7-2-9(15)8-13(12)16/h2,7-8,10H,3-6H2,1H3
InChIKeyQXDUWGPEAOWDMD-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79119736
4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 115369123
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120625
N-cyclopropyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940160
5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24690461
2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81453111
4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418
N-cyclobutyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940219
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120460

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 79120141) is 4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide is CN(C(=O)c1ccc(Br)cc1F)C1CCC(=O)CC1.
What is the InChIKey of 4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is QXDUWGPEAOWDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-7-2-9(15)8-13(12)16/h2,7-8,10H,3-6H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 328.18 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 79120141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).