2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide

C15H20BrNO3 — CID 109399821

IUPAC2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2CCCC2O)c(Br)c1
InChIInChI=1S/C15H20BrNO3/c1-17(9-10-4-3-5-14(10)18)15(19)12-7-6-11(20-2)8-13(12)16/h6-8,10,14,18H,3-5,9H2,1-2H3
InChIKeyCORHGEOPZANJLX-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.69
Rot. Bonds4

About 2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide

2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide (PubChem CID 109399821) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide
PubChem CID109399821
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2CCCC2O)c(Br)c1
InChIInChI=1S/C15H20BrNO3/c1-17(9-10-4-3-5-14(10)18)15(19)12-7-6-11(20-2)8-13(12)16/h6-8,10,14,18H,3-5,9H2,1-2H3
InChIKeyCORHGEOPZANJLX-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 109399670
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 109397032
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide
CID 110003292
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
CID 110003945
2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715879
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-phenylbenzamide
CID 109400318
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 110003317
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
CID 54920032

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide (CID 109399821) is 2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC2CCCC2O)c(Br)c1.
What is the InChIKey of 2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide?
The InChIKey is CORHGEOPZANJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-17(9-10-4-3-5-14(10)18)15(19)12-7-6-11(20-2)8-13(12)16/h6-8,10,14,18H,3-5,9H2,1-2H3.
What are the key properties of 2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide?
2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide has a molecular weight of 342.23 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 109399821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).