N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide

C14H18BrNO2 — CID 106128171

IUPACN-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1CCC(Br)C1
InChIInChI=1S/C14H18BrNO2/c1-18-13-5-3-2-4-12(13)14(17)16-9-10-6-7-11(15)8-10/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyJYOPQUUOWGNNBO-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.99
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide

N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide (PubChem CID 106128171) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
PubChem CID106128171
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1CCC(Br)C1
InChIInChI=1S/C14H18BrNO2/c1-18-13-5-3-2-4-12(13)14(17)16-9-10-6-7-11(15)8-10/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyJYOPQUUOWGNNBO-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.99
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-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
CID 106128639
N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
CID 114148036
N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 114148107
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide
CID 61380888
N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide
CID 114147208

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide (CID 106128171) is N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide?
The InChIKey is JYOPQUUOWGNNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-18-13-5-3-2-4-12(13)14(17)16-9-10-6-7-11(15)8-10/h2-5,10-11H,6-9H2,1H3,(H,16,17).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide?
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide has a molecular weight of 312.21 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 106128171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).