3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide

C14H15BrClNO2 — CID 107939103

IUPAC3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1cc(Cl)cc(Br)c1)C1CCC(=O)CC1
InChIInChI=1S/C14H15BrClNO2/c1-17(12-2-4-13(18)5-3-12)14(19)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3
InChIKeyQFTMJGPQCXMPLA-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.69
Rot. Bonds2

About 3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide

3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 107939103) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID107939103
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC Name3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1cc(Cl)cc(Br)c1)C1CCC(=O)CC1
InChIInChI=1S/C14H15BrClNO2/c1-17(12-2-4-13(18)5-3-12)14(19)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3
InChIKeyQFTMJGPQCXMPLA-UHFFFAOYSA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 81471710
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 113395910
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79119736
4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120625
N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
CID 66186140

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 107939103) is 3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide is CN(C(=O)c1cc(Cl)cc(Br)c1)C1CCC(=O)CC1.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is QFTMJGPQCXMPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c1-17(12-2-4-13(18)5-3-12)14(19)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 344.64 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 107939103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).