N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide

C16H22INO — CID 103766399

IUPACN-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide
SMILESCCC1(CNC(=O)c2cccc(C)c2I)CCCC1
InChIInChI=1S/C16H22INO/c1-3-16(9-4-5-10-16)11-18-15(19)13-8-6-7-12(2)14(13)17/h6-8H,3-5,9-11H2,1-2H3,(H,18,19)
InChIKeyUPQJLENSLQAOTF-UHFFFAOYSA-N
MW371.26 g/mol
LogP4.30
Rot. Bonds4

About N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide

N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide (PubChem CID 103766399) has the molecular formula C16H22INO and a molecular weight of 371.26 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide
PubChem CID103766399
Molecular FormulaC16H22INO
Molecular Weight371.26 g/mol
Exact Mass371.07
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide
SMILESCCC1(CNC(=O)c2cccc(C)c2I)CCCC1
InChIInChI=1S/C16H22INO/c1-3-16(9-4-5-10-16)11-18-15(19)13-8-6-7-12(2)14(13)17/h6-8H,3-5,9-11H2,1-2H3,(H,18,19)
InChIKeyUPQJLENSLQAOTF-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 54.30
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

N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide
CID 103737209
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
N-[(1-ethylcyclopropyl)methyl]-2,3-dihydroxybenzamide
CID 104931813
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 114107092
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
CID 114125614
N-[(1-ethylcyclobutyl)methyl]-1H-indole-4-carboxamide
CID 103741634
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 113257623
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide (CID 103766399) is N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide is CCC1(CNC(=O)c2cccc(C)c2I)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide?
The InChIKey is UPQJLENSLQAOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22INO/c1-3-16(9-4-5-10-16)11-18-15(19)13-8-6-7-12(2)14(13)17/h6-8H,3-5,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide?
N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide has a molecular weight of 371.26 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103766399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).