3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide

C15H20BrNO — CID 81472478

IUPAC3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCC2(C)CCCC2)cc1Br
InChIInChI=1S/C15H20BrNO/c1-11-5-6-12(9-13(11)16)14(18)17-10-15(2)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyRAUKUGSAKAGYGL-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.07
Rot. Bonds3

About 3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide

3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide (PubChem CID 81472478) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
PubChem CID81472478
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCC2(C)CCCC2)cc1Br
InChIInChI=1S/C15H20BrNO/c1-11-5-6-12(9-13(11)16)14(18)17-10-15(2)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyRAUKUGSAKAGYGL-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
CID 114094949
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
1-[[(3-bromo-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312051
3-bromo-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylbenzamide
CID 111596827
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
CID 113252067
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 115673069
N-[(1-methylcyclopentyl)methyl]-4-sulfamoylbenzamide
CID 63821642
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
4-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 113397023

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide (CID 81472478) is 3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide is Cc1ccc(C(=O)NCC2(C)CCCC2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide?
The InChIKey is RAUKUGSAKAGYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-5-6-12(9-13(11)16)14(18)17-10-15(2)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide?
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide has a molecular weight of 310.24 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 81472478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).