2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide

C14H17BrN2O3 — CID 63823221

IUPAC2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
SMILESCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1
InChIInChI=1S/C14H17BrN2O3/c1-14(6-2-3-7-14)9-16-13(18)11-8-10(17(19)20)4-5-12(11)15/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyMTQNUKYDGRIZPI-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.67
Rot. Bonds4

About 2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide

2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide (PubChem CID 63823221) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
PubChem CID63823221
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
SMILESCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1
InChIInChI=1S/C14H17BrN2O3/c1-14(6-2-3-7-14)9-16-13(18)11-8-10(17(19)20)4-5-12(11)15/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyMTQNUKYDGRIZPI-UHFFFAOYSA-N
XLogP3.67
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide
CID 103766411
2-chloro-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63821949
2-(methylamino)-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63822125
2-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]-5-nitrobenzamide
CID 107271630
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364
2-iodo-N-[(1-methylcyclobutyl)methyl]-5-nitrobenzamide
CID 113251845
2-chloro-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
CID 103753304
2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 86901481
2-bromo-5-nitro-N-octylbenzamide
CID 115567380
2-bromo-N-[(1-methylcyclopentyl)methyl]-4-nitroaniline
CID 63829766
2-bromo-5-nitro-N-[2-(propylamino)ethyl]benzamide
CID 62657860
4,5-difluoro-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
CID 63820662

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide (CID 63823221) is 2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide is CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1.
What is the InChIKey of 2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide?
The InChIKey is MTQNUKYDGRIZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-14(6-2-3-7-14)9-16-13(18)11-8-10(17(19)20)4-5-12(11)15/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,18).
What are the key properties of 2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide?
2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide has a molecular weight of 341.21 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 63823221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).