N-(1-ethoxypropan-2-yl)-2-iodobenzamide

C12H16INO2 — CID 47903574

IUPACN-(1-ethoxypropan-2-yl)-2-iodobenzamide
SMILESCCOCC(C)NC(=O)c1ccccc1I
InChIInChI=1S/C12H16INO2/c1-3-16-8-9(2)14-12(15)10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyIVCNGCNYLFADKP-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.45
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-2-iodobenzamide

N-(1-ethoxypropan-2-yl)-2-iodobenzamide (PubChem CID 47903574) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-iodobenzamide
PubChem CID47903574
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC NameN-(1-ethoxypropan-2-yl)-2-iodobenzamide
SMILESCCOCC(C)NC(=O)c1ccccc1I
InChIInChI=1S/C12H16INO2/c1-3-16-8-9(2)14-12(15)10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyIVCNGCNYLFADKP-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-iodobenzamide
CID 3344108
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82828956
N-(1-ethoxypropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547790
N-(1-ethoxypropan-2-yl)-4-iodobenzamide
CID 47903616
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 62174214
2-iodo-N-(2-methylpentan-3-yl)benzamide
CID 61465043
N-(1-ethoxypropan-2-yl)-2-methyl-5-sulfanylbenzamide
CID 107027091
N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide
CID 114316113
N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide
CID 115548743
methyl (2S)-2-[(2-iodobenzoyl)amino]-4-methylpentanoate
CID 1224241

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-iodobenzamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-iodobenzamide (CID 47903574) is N-(1-ethoxypropan-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-iodobenzamide is CCOCC(C)NC(=O)c1ccccc1I.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-iodobenzamide?
The InChIKey is IVCNGCNYLFADKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-3-16-8-9(2)14-12(15)10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-ethoxypropan-2-yl)-2-iodobenzamide?
N-(1-ethoxypropan-2-yl)-2-iodobenzamide has a molecular weight of 333.17 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-iodobenzamide is sourced from PubChem (CID 47903574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).