N-ethyl-2-iodo-3-methylbenzamide

C10H12INO — CID 69076024

IUPACN-ethyl-2-iodo-3-methylbenzamide
SMILESCCNC(=O)c1cccc(C)c1I
InChIInChI=1S/C10H12INO/c1-3-12-10(13)8-6-4-5-7(2)9(8)11/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyBXLXYGAJXIUGTL-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.35
Rot. Bonds2

About N-ethyl-2-iodo-3-methylbenzamide

N-ethyl-2-iodo-3-methylbenzamide (PubChem CID 69076024) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is N-ethyl-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-iodo-3-methylbenzamide
PubChem CID69076024
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC NameN-ethyl-2-iodo-3-methylbenzamide
SMILESCCNC(=O)c1cccc(C)c1I
InChIInChI=1S/C10H12INO/c1-3-12-10(13)8-6-4-5-7(2)9(8)11/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyBXLXYGAJXIUGTL-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.35
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

ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide
CID 103737209
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
CID 113222868
N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103766399
N-ethyl-8-methylnaphthalene-1-carboxamide
CID 21338721
2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 4866653
2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
CID 103708378
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-iodo-3-methylbenzamide?
The IUPAC name of N-ethyl-2-iodo-3-methylbenzamide (CID 69076024) is N-ethyl-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-ethyl-2-iodo-3-methylbenzamide?
The canonical SMILES for N-ethyl-2-iodo-3-methylbenzamide is CCNC(=O)c1cccc(C)c1I.
What is the InChIKey of N-ethyl-2-iodo-3-methylbenzamide?
The InChIKey is BXLXYGAJXIUGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO/c1-3-12-10(13)8-6-4-5-7(2)9(8)11/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-2-iodo-3-methylbenzamide?
N-ethyl-2-iodo-3-methylbenzamide has a molecular weight of 289.12 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-iodo-3-methylbenzamide is sourced from PubChem (CID 69076024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).