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

C17H23BrN2O2 — CID 78828352

IUPAC3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)CNC(=O)c1cccc(Br)c1)C1CCCCCC1
InChIInChI=1S/C17H23BrN2O2/c1-20(15-9-4-2-3-5-10-15)16(21)12-19-17(22)13-7-6-8-14(18)11-13/h6-8,11,15H,2-5,9-10,12H2,1H3,(H,19,22)
InChIKeyVBWFHVRMBSPAAJ-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.36
Rot. Bonds4

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

3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide (PubChem CID 78828352) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
PubChem CID78828352
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)CNC(=O)c1cccc(Br)c1)C1CCCCCC1
InChIInChI=1S/C17H23BrN2O2/c1-20(15-9-4-2-3-5-10-15)16(21)12-19-17(22)13-7-6-8-14(18)11-13/h6-8,11,15H,2-5,9-10,12H2,1H3,(H,19,22)
InChIKeyVBWFHVRMBSPAAJ-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719
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-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide (CID 78828352) is 3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide is CN(C(=O)CNC(=O)c1cccc(Br)c1)C1CCCCCC1.
What is the InChIKey of 3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide?
The InChIKey is VBWFHVRMBSPAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-20(15-9-4-2-3-5-10-15)16(21)12-19-17(22)13-7-6-8-14(18)11-13/h6-8,11,15H,2-5,9-10,12H2,1H3,(H,19,22).
What are the key properties of 3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide has a molecular weight of 367.29 g/mol, XLogP of 3.36, 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-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 78828352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).