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

C14H17BrFNO2 — CID 106366287

IUPACN-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCC2CBr)ccc1F
InChIInChI=1S/C14H17BrFNO2/c1-19-13-7-9(5-6-11(13)16)14(18)17-12-4-2-3-10(12)8-15/h5-7,10,12H,2-4,8H2,1H3,(H,17,18)
InChIKeyFVZMXPBQOIJDRV-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.13
Rot. Bonds4

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

N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide (PubChem CID 106366287) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
PubChem CID106366287
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCC2CBr)ccc1F
InChIInChI=1S/C14H17BrFNO2/c1-19-13-7-9(5-6-11(13)16)14(18)17-12-4-2-3-10(12)8-15/h5-7,10,12H,2-4,8H2,1H3,(H,17,18)
InChIKeyFVZMXPBQOIJDRV-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 124572084
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
CID 106366534
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114317199
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide
CID 106366441

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide (CID 106366287) is N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NC2CCCC2CBr)ccc1F.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is FVZMXPBQOIJDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-19-13-7-9(5-6-11(13)16)14(18)17-12-4-2-3-10(12)8-15/h5-7,10,12H,2-4,8H2,1H3,(H,17,18).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide?
N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 330.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 106366287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).