N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide

C14H17BrINO — CID 114179537

IUPACN-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCC2CBr)c1I
InChIInChI=1S/C14H17BrINO/c1-9-4-2-6-11(13(9)16)14(18)17-12-7-3-5-10(12)8-15/h2,4,6,10,12H,3,5,7-8H2,1H3,(H,17,18)
InChIKeySSNCAYQQKIUKLP-UHFFFAOYSA-N
MW422.10 g/mol
LogP3.89
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide

N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide (PubChem CID 114179537) has the molecular formula C14H17BrINO and a molecular weight of 422.10 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
PubChem CID114179537
Molecular FormulaC14H17BrINO
Molecular Weight422.10 g/mol
Exact Mass420.95
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCC2CBr)c1I
InChIInChI=1S/C14H17BrINO/c1-9-4-2-6-11(13(9)16)14(18)17-12-7-3-5-10(12)8-15/h2,4,6,10,12H,3,5,7-8H2,1H3,(H,17,18)
InChIKeySSNCAYQQKIUKLP-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 113254999
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
CID 106366208
N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide
CID 114179501
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
CID 114179397
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 106366592
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide (CID 114179537) is N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)NC2CCCC2CBr)c1I.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide?
The InChIKey is SSNCAYQQKIUKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrINO/c1-9-4-2-6-11(13(9)16)14(18)17-12-7-3-5-10(12)8-15/h2,4,6,10,12H,3,5,7-8H2,1H3,(H,17,18).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide?
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide has a molecular weight of 422.10 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide is sourced from PubChem (CID 114179537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).