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

C14H15BrClNO2 — CID 81296264

IUPAC4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCC(=O)CC1
InChIInChI=1S/C14H15BrClNO2/c1-17(10-3-5-11(18)6-4-10)14(19)9-2-7-12(15)13(16)8-9/h2,7-8,10H,3-6H2,1H3
InChIKeyAMUBLTZYTXOXRG-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.69
Rot. Bonds2

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

4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 81296264) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID81296264
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC Name4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCC(=O)CC1
InChIInChI=1S/C14H15BrClNO2/c1-17(10-3-5-11(18)6-4-10)14(19)9-2-7-12(15)13(16)8-9/h2,7-8,10H,3-6H2,1H3
InChIKeyAMUBLTZYTXOXRG-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-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 81471710
4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79119648
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 81295054
5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide
CID 106685019
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79726601
4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 80999167
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
CID 81295179

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 81296264) is 4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide is CN(C(=O)c1ccc(Br)c(Cl)c1)C1CCC(=O)CC1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is AMUBLTZYTXOXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c1-17(10-3-5-11(18)6-4-10)14(19)9-2-7-12(15)13(16)8-9/h2,7-8,10H,3-6H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
4-bromo-3-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 4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 81296264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).