5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide

C15H20BrNO2 — CID 113294009

IUPAC5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C15H20BrNO2/c1-11-4-5-12(16)8-13(11)14(19)17-9-15(10-18)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19)
InChIKeyHBDSDYRFLXKWTK-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.04
Rot. Bonds4

About 5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide

5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide (PubChem CID 113294009) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
PubChem CID113294009
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C15H20BrNO2/c1-11-4-5-12(16)8-13(11)14(19)17-9-15(10-18)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19)
InChIKeyHBDSDYRFLXKWTK-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 115455960
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-5-sulfanylbenzamide
CID 107034278
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
4-[[(5-bromo-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438275
5-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzamide
CID 107302287
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
CID 115362271

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide (CID 113294009) is 5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCC1(CO)CCCC1.
What is the InChIKey of 5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide?
The InChIKey is HBDSDYRFLXKWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11-4-5-12(16)8-13(11)14(19)17-9-15(10-18)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of 5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide?
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 113294009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).