N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide

C15H20BrNO2 — CID 113275455

IUPACN-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC1CCCC1Br
InChIInChI=1S/C15H20BrNO2/c1-2-19-14-9-4-3-7-12(14)15(18)17-10-11-6-5-8-13(11)16/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3,(H,17,18)
InChIKeyFNSLTFNPDDTWSO-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.38
Rot. Bonds5

About N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide

N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide (PubChem CID 113275455) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide
PubChem CID113275455
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC1CCCC1Br
InChIInChI=1S/C15H20BrNO2/c1-2-19-14-9-4-3-7-12(14)15(18)17-10-11-6-5-8-13(11)16/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3,(H,17,18)
InChIKeyFNSLTFNPDDTWSO-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.38
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)methyl]-2,3-dimethoxybenzamide
CID 114313919
2-ethoxy-N-[(3-ethylpiperidin-2-yl)methyl]benzamide
CID 82732420
2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
CID 97180721
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
CID 3232201
2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide
CID 125139619
2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide
CID 128989481
2-bromo-N-[(2-bromocyclohexyl)methyl]-3-methylbenzamide
CID 114024074
N-[(2-bromocyclohexyl)methyl]-2-nitrobenzamide
CID 114312172
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
CID 113275434
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-ethoxybenzamide
CID 94822684
N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
CID 114313710

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide (CID 113275455) is N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC1CCCC1Br.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide?
The InChIKey is FNSLTFNPDDTWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-2-19-14-9-4-3-7-12(14)15(18)17-10-11-6-5-8-13(11)16/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3,(H,17,18).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide?
N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide is sourced from PubChem (CID 113275455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).