3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide

C15H20BrNO2 — CID 104852405

IUPAC3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(CCO)C2CCCC2)c1
InChIInChI=1S/C15H20BrNO2/c1-11-8-12(10-13(16)9-11)15(19)17(6-7-18)14-4-2-3-5-14/h8-10,14,18H,2-7H2,1H3
InChIKeyKHHCYDMYPAJVEZ-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.13
Rot. Bonds4

About 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide

3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide (PubChem CID 104852405) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
PubChem CID104852405
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(CCO)C2CCCC2)c1
InChIInChI=1S/C15H20BrNO2/c1-11-8-12(10-13(16)9-11)15(19)17(6-7-18)14-4-2-3-5-14/h8-10,14,18H,2-7H2,1H3
InChIKeyKHHCYDMYPAJVEZ-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 104852406
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 104852761
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
CID 107975422
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide
CID 102684529
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide
CID 115999669

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide (CID 104852405) is 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)N(CCO)C2CCCC2)c1.
What is the InChIKey of 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide?
The InChIKey is KHHCYDMYPAJVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11-8-12(10-13(16)9-11)15(19)17(6-7-18)14-4-2-3-5-14/h8-10,14,18H,2-7H2,1H3.
What are the key properties of 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide?
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide is sourced from PubChem (CID 104852405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).