3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide

C16H22BrNO — CID 112760384

IUPAC3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C16H22BrNO/c1-18(15-8-3-2-4-9-15)16(19)11-10-13-6-5-7-14(17)12-13/h5-7,12,15H,2-4,8-11H2,1H3
InChIKeyXODUCAYSKUYTEP-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.17
Rot. Bonds4

About 3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide

3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide (PubChem CID 112760384) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide
PubChem CID112760384
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C16H22BrNO/c1-18(15-8-3-2-4-9-15)16(19)11-10-13-6-5-7-14(17)12-13/h5-7,12,15H,2-4,8-11H2,1H3
InChIKeyXODUCAYSKUYTEP-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719
3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
CID 78828352
4-[3-(3-bromophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66236542
2-[[(4R)-1-[3-(3-bromophenyl)propanoyl]azepan-4-yl]-methylamino]acetic acid
CID 129399152
3-(3-bromophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 127122318
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
2-[3-(3-bromophenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817750
(Z)-3-[(3-bromophenyl)methylamino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830541
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide (CID 112760384) is 3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide is CN(C(=O)CCc1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of 3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide?
The InChIKey is XODUCAYSKUYTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-18(15-8-3-2-4-9-15)16(19)11-10-13-6-5-7-14(17)12-13/h5-7,12,15H,2-4,8-11H2,1H3.
What are the key properties of 3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide?
3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide has a molecular weight of 324.26 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 112760384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).