2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide

C15H19BrINO — CID 114125614

IUPAC2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
SMILESCCC1(CNC(=O)c2cc(I)ccc2Br)CCCC1
InChIInChI=1S/C15H19BrINO/c1-2-15(7-3-4-8-15)10-18-14(19)12-9-11(17)5-6-13(12)16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyXQYNYGFAMBFXQJ-UHFFFAOYSA-N
MW436.13 g/mol
LogP4.75
Rot. Bonds4

About 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide

2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide (PubChem CID 114125614) has the molecular formula C15H19BrINO and a molecular weight of 436.13 g/mol. Its IUPAC name is 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
PubChem CID114125614
Molecular FormulaC15H19BrINO
Molecular Weight436.13 g/mol
Exact Mass434.97
IUPAC Name2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
SMILESCCC1(CNC(=O)c2cc(I)ccc2Br)CCCC1
InChIInChI=1S/C15H19BrINO/c1-2-15(7-3-4-8-15)10-18-14(19)12-9-11(17)5-6-13(12)16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyXQYNYGFAMBFXQJ-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.13
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide
CID 103766411
2-bromo-5-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 113362668
2-bromo-5-iodo-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 113362530
2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide
CID 103816659
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
CID 103741352
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
CID 107732018
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103766399
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063
2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114750942

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide?
The IUPAC name of 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide (CID 114125614) is 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide is CCC1(CNC(=O)c2cc(I)ccc2Br)CCCC1.
What is the InChIKey of 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide?
The InChIKey is XQYNYGFAMBFXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrINO/c1-2-15(7-3-4-8-15)10-18-14(19)12-9-11(17)5-6-13(12)16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide?
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide has a molecular weight of 436.13 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide is sourced from PubChem (CID 114125614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).