N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide

C13H18INO2 — CID 59893455

IUPACN,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide
SMILESCCN(CC)C(=O)c1ccccc1C(O)CI
InChIInChI=1S/C13H18INO2/c1-3-15(4-2)13(17)11-8-6-5-7-10(11)12(16)9-14/h5-8,12,16H,3-4,9H2,1-2H3
InChIKeyIHNMEWDULTUUQU-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.64
Rot. Bonds5

About N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide

N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide (PubChem CID 59893455) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide
PubChem CID59893455
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide
SMILESCCN(CC)C(=O)c1ccccc1C(O)CI
InChIInChI=1S/C13H18INO2/c1-3-15(4-2)13(17)11-8-6-5-7-10(11)12(16)9-14/h5-8,12,16H,3-4,9H2,1-2H3
InChIKeyIHNMEWDULTUUQU-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide
CID 129385502
CID 59369605
CID 59369605
potassium 2-(diethylcarbamoyl)benzoate
CID 135085837
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
N,N-diethyl-2-(trifluoromethylsulfanyl)benzamide
CID 60753360
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385
2-(cyanomethylsulfanyl)-N,N-diethylbenzamide
CID 60629698
trimethylsilyl 2-(diethylcarbamoyl)benzoate
CID 12716767
N,N-diethyl-2-formamidobenzamide
CID 168652158
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide?
The IUPAC name of N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide (CID 59893455) is N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide.
What is the SMILES notation for N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide?
The canonical SMILES for N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide is CCN(CC)C(=O)c1ccccc1C(O)CI.
What is the InChIKey of N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide?
The InChIKey is IHNMEWDULTUUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-3-15(4-2)13(17)11-8-6-5-7-10(11)12(16)9-14/h5-8,12,16H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide?
N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide has a molecular weight of 347.20 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide is sourced from PubChem (CID 59893455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).