2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide

C14H17Br2NO — CID 114372364

IUPAC2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(Br)ccc2Br)CCCC1
InChIInChI=1S/C14H17Br2NO/c1-14(6-2-3-7-14)9-17-13(18)11-8-10(15)4-5-12(11)16/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyDXMFPIZCKUVHBG-UHFFFAOYSA-N
MW375.10 g/mol
LogP4.52
Rot. Bonds3

About 2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide

2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide (PubChem CID 114372364) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
PubChem CID114372364
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(Br)ccc2Br)CCCC1
InChIInChI=1S/C14H17Br2NO/c1-14(6-2-3-7-14)9-17-13(18)11-8-10(15)4-5-12(11)16/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyDXMFPIZCKUVHBG-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.10
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 86901481
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63823221
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101
4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151
5-amino-2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162859
2-amino-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821646
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
2,5-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 104920466
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide (CID 114372364) is 2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide is CC1(CNC(=O)c2cc(Br)ccc2Br)CCCC1.
What is the InChIKey of 2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide?
The InChIKey is DXMFPIZCKUVHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c1-14(6-2-3-7-14)9-17-13(18)11-8-10(15)4-5-12(11)16/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide?
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide has a molecular weight of 375.10 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 114372364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).