3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide

C16H21BrN2O2 — CID 51210719

IUPAC3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)CNC(=O)c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C16H21BrN2O2/c1-19(14-8-3-2-4-9-14)15(20)11-18-16(21)12-6-5-7-13(17)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyWPYDYFUMUQYCKW-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.97
Rot. Bonds4

About 3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide

3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide (PubChem CID 51210719) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
PubChem CID51210719
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)CNC(=O)c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C16H21BrN2O2/c1-19(14-8-3-2-4-9-14)15(20)11-18-16(21)12-6-5-7-13(17)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyWPYDYFUMUQYCKW-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
CID 78828352
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838807
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 112805274
4-amino-N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]benzamide
CID 43213215
3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide
CID 112760384
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46156224
3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
CID 52599948
3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 60954447
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839256

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide (CID 51210719) is 3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide is CN(C(=O)CNC(=O)c1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of 3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide?
The InChIKey is WPYDYFUMUQYCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-19(14-8-3-2-4-9-14)15(20)11-18-16(21)12-6-5-7-13(17)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,21).
What are the key properties of 3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide has a molecular weight of 353.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 51210719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).