N-(2-bromocyclopentyl)-3-methoxybenzamide

C13H16BrNO2 — CID 80662437

IUPACN-(2-bromocyclopentyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCC2Br)c1
InChIInChI=1S/C13H16BrNO2/c1-17-10-5-2-4-9(8-10)13(16)15-12-7-3-6-11(12)14/h2,4-5,8,11-12H,3,6-7H2,1H3,(H,15,16)
InChIKeyNAFSWROCPFMQGX-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.74
Rot. Bonds3

About N-(2-bromocyclopentyl)-3-methoxybenzamide

N-(2-bromocyclopentyl)-3-methoxybenzamide (PubChem CID 80662437) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-3-methoxybenzamide
PubChem CID80662437
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-(2-bromocyclopentyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCC2Br)c1
InChIInChI=1S/C13H16BrNO2/c1-17-10-5-2-4-9(8-10)13(16)15-12-7-3-6-11(12)14/h2,4-5,8,11-12H,3,6-7H2,1H3,(H,15,16)
InChIKeyNAFSWROCPFMQGX-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
CID 80661734
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-(2-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
CID 110279269
N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 114312002
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461300
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide
CID 110128022
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-3-methoxybenzamide?
The IUPAC name of N-(2-bromocyclopentyl)-3-methoxybenzamide (CID 80662437) is N-(2-bromocyclopentyl)-3-methoxybenzamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-3-methoxybenzamide?
The canonical SMILES for N-(2-bromocyclopentyl)-3-methoxybenzamide is COc1cccc(C(=O)NC2CCCC2Br)c1.
What is the InChIKey of N-(2-bromocyclopentyl)-3-methoxybenzamide?
The InChIKey is NAFSWROCPFMQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-17-10-5-2-4-9(8-10)13(16)15-12-7-3-6-11(12)14/h2,4-5,8,11-12H,3,6-7H2,1H3,(H,15,16).
What are the key properties of N-(2-bromocyclopentyl)-3-methoxybenzamide?
N-(2-bromocyclopentyl)-3-methoxybenzamide has a molecular weight of 298.18 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-3-methoxybenzamide is sourced from PubChem (CID 80662437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).