N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide

C15H19BrFNO2 — CID 114317199

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC2CBr)cc1F
InChIInChI=1S/C15H19BrFNO2/c1-20-14-6-5-10(7-13(14)17)15(19)18-9-12-4-2-3-11(12)8-16/h5-7,11-12H,2-4,8-9H2,1H3,(H,18,19)
InChIKeyAFPDHHYSPANGKX-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.38
Rot. Bonds5

About N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide (PubChem CID 114317199) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
PubChem CID114317199
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC2CBr)cc1F
InChIInChI=1S/C15H19BrFNO2/c1-20-14-6-5-10(7-13(14)17)15(19)18-9-12-4-2-3-11(12)8-16/h5-7,11-12H,2-4,8-9H2,1H3,(H,18,19)
InChIKeyAFPDHHYSPANGKX-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
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-(bromomethyl)cyclohexyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114317315
N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
CID 114317235
N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 82732425
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
CID 106366287
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276202
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide (CID 114317199) is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCCC2CBr)cc1F.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is AFPDHHYSPANGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-20-14-6-5-10(7-13(14)17)15(19)18-9-12-4-2-3-11(12)8-16/h5-7,11-12H,2-4,8-9H2,1H3,(H,18,19).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 344.22 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-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 114317199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).