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

C14H16BrNO2 — CID 113396728

IUPAC4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1cc(C(=O)NC2CCC(=O)CC2)ccc1Br
InChIInChI=1S/C14H16BrNO2/c1-9-8-10(2-7-13(9)15)14(18)16-11-3-5-12(17)6-4-11/h2,7-8,11H,3-6H2,1H3,(H,16,18)
InChIKeySYVQGSUNFSASBP-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.00
Rot. Bonds2

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

4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 113396728) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID113396728
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1cc(C(=O)NC2CCC(=O)CC2)ccc1Br
InChIInChI=1S/C14H16BrNO2/c1-9-8-10(2-7-13(9)15)14(18)16-11-3-5-12(17)6-4-11/h2,7-8,11H,3-6H2,1H3,(H,16,18)
InChIKeySYVQGSUNFSASBP-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
[4-[(4-bromo-3-methylbenzoyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174784551
4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103855353
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide (CID 113396728) is 4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide is Cc1cc(C(=O)NC2CCC(=O)CC2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is SYVQGSUNFSASBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-9-8-10(2-7-13(9)15)14(18)16-11-3-5-12(17)6-4-11/h2,7-8,11H,3-6H2,1H3,(H,16,18).
What are the key properties of 4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide?
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 310.19 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 113396728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).