N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide

C13H16INO — CID 103708603

IUPACN-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC2CC2)c1I
InChIInChI=1S/C13H16INO/c1-9-3-2-4-11(12(9)14)13(16)15-8-7-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,15,16)
InChIKeyGWTATNCTVFGPDM-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.13
Rot. Bonds4

About N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide

N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide (PubChem CID 103708603) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
PubChem CID103708603
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC NameN-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC2CC2)c1I
InChIInChI=1S/C13H16INO/c1-9-3-2-4-11(12(9)14)13(16)15-8-7-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,15,16)
InChIKeyGWTATNCTVFGPDM-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.13
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-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
N-[2-(cycloheptylamino)ethyl]-2-iodo-3-methylbenzamide
CID 103807397
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685129
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide (CID 103708603) is N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)NCCC2CC2)c1I.
What is the InChIKey of N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide?
The InChIKey is GWTATNCTVFGPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO/c1-9-3-2-4-11(12(9)14)13(16)15-8-7-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,15,16).
What are the key properties of N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide?
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide has a molecular weight of 329.18 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103708603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).