N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide

C14H17BrClNO2 — CID 113275434

IUPACN-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1CCCC1Br
InChIInChI=1S/C14H17BrClNO2/c1-19-13-6-5-10(16)7-11(13)14(18)17-8-9-3-2-4-12(9)15/h5-7,9,12H,2-4,8H2,1H3,(H,17,18)
InChIKeyZTOXEKMSDYOZLG-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.64
Rot. Bonds4

About N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide

N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide (PubChem CID 113275434) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
PubChem CID113275434
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC NameN-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1CCCC1Br
InChIInChI=1S/C14H17BrClNO2/c1-19-13-6-5-10(16)7-11(13)14(18)17-8-9-3-2-4-12(9)15/h5-7,9,12H,2-4,8H2,1H3,(H,17,18)
InChIKeyZTOXEKMSDYOZLG-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-bromocyclopentyl)methyl]-5-chloro-2-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

trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
CID 114313919
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-methoxybenzamide
CID 146080294
5-fluoro-N-[(2-hydroxycyclopentyl)methyl]-2-methoxybenzamide
CID 111464236
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107966136
N-[(2-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide (CID 113275434) is N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCC1CCCC1Br.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide?
The InChIKey is ZTOXEKMSDYOZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-19-13-6-5-10(16)7-11(13)14(18)17-8-9-3-2-4-12(9)15/h5-7,9,12H,2-4,8H2,1H3,(H,17,18).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide?
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide has a molecular weight of 346.65 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 113275434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).