2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide

C22H19IN2O2 — CID 43877730

IUPAC2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)c2ccccc2I)c1)c1ccccc1
InChIInChI=1S/C22H19IN2O2/c1-15(16-8-3-2-4-9-16)24-21(26)17-10-7-11-18(14-17)25-22(27)19-12-5-6-13-20(19)23/h2-15H,1H3,(H,24,26)(H,25,27)
InChIKeyCMMCZMMFJWCPTG-UHFFFAOYSA-N
MW470.31 g/mol
LogP5.03
Rot. Bonds5

About 2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide

2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 43877730) has the molecular formula C22H19IN2O2 and a molecular weight of 470.31 g/mol. Its IUPAC name is 2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID43877730
Molecular FormulaC22H19IN2O2
Molecular Weight470.31 g/mol
Exact Mass470.05
IUPAC Name2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)c2ccccc2I)c1)c1ccccc1
InChIInChI=1S/C22H19IN2O2/c1-15(16-8-3-2-4-9-16)24-21(26)17-10-7-11-18(14-17)25-22(27)19-12-5-6-13-20(19)23/h2-15H,1H3,(H,24,26)(H,25,27)
InChIKeyCMMCZMMFJWCPTG-UHFFFAOYSA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.31
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 43877970
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877888
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
3-[(3-nitrobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 40740169
2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 43877997
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide (CID 43877730) is 2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide is CC(NC(=O)c1cccc(NC(=O)c2ccccc2I)c1)c1ccccc1.
What is the InChIKey of 2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is CMMCZMMFJWCPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19IN2O2/c1-15(16-8-3-2-4-9-16)24-21(26)17-10-7-11-18(14-17)25-22(27)19-12-5-6-13-20(19)23/h2-15H,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide?
2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 470.31 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 43877730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).