3-bromo-N-cyclopentyl-N,5-dimethylbenzamide

C14H18BrNO — CID 104851892

IUPAC3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C14H18BrNO/c1-10-7-11(9-12(15)8-10)14(17)16(2)13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3
InChIKeyPHODPIYVEWPJKZ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.77
Rot. Bonds2

About 3-bromo-N-cyclopentyl-N,5-dimethylbenzamide

3-bromo-N-cyclopentyl-N,5-dimethylbenzamide (PubChem CID 104851892) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-N,5-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
PubChem CID104851892
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C14H18BrNO/c1-10-7-11(9-12(15)8-10)14(17)16(2)13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3
InChIKeyPHODPIYVEWPJKZ-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 104852761
6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
CID 115749091
3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 65374087
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide
CID 79119344
N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide
CID 115999986

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-N,5-dimethylbenzamide?
The IUPAC name of 3-bromo-N-cyclopentyl-N,5-dimethylbenzamide (CID 104851892) is 3-bromo-N-cyclopentyl-N,5-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopentyl-N,5-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopentyl-N,5-dimethylbenzamide is Cc1cc(Br)cc(C(=O)N(C)C2CCCC2)c1.
What is the InChIKey of 3-bromo-N-cyclopentyl-N,5-dimethylbenzamide?
The InChIKey is PHODPIYVEWPJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-7-11(9-12(15)8-10)14(17)16(2)13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3-bromo-N-cyclopentyl-N,5-dimethylbenzamide?
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-N,5-dimethylbenzamide is sourced from PubChem (CID 104851892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).