N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide

C20H24IN3O2 — CID 17229734

IUPACN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C20H24IN3O2/c1-3-24(4-2)14-13-22-19(25)15-9-11-16(12-10-15)23-20(26)17-7-5-6-8-18(17)21/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyAGSGFXFOGBPLFW-UHFFFAOYSA-N
MW465.34 g/mol
LogP3.62
Rot. Bonds8

About N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide (PubChem CID 17229734) has the molecular formula C20H24IN3O2 and a molecular weight of 465.34 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
PubChem CID17229734
Molecular FormulaC20H24IN3O2
Molecular Weight465.34 g/mol
Exact Mass465.09
IUPAC NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C20H24IN3O2/c1-3-24(4-2)14-13-22-19(25)15-9-11-16(12-10-15)23-20(26)17-7-5-6-8-18(17)21/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyAGSGFXFOGBPLFW-UHFFFAOYSA-N
XLogP3.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163528
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
CID 110839377
N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
CID 2406200
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide?
The IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide (CID 17229734) is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2I)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide?
The InChIKey is AGSGFXFOGBPLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24IN3O2/c1-3-24(4-2)14-13-22-19(25)15-9-11-16(12-10-15)23-20(26)17-7-5-6-8-18(17)21/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide?
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide has a molecular weight of 465.34 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide is sourced from PubChem (CID 17229734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).