N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide

C21H17IN2O2 — CID 28638781

IUPACN-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C21H17IN2O2/c22-19-12-5-4-11-18(19)21(26)24-17-10-6-9-16(13-17)20(25)23-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyUNTZDAZPXYIDLY-UHFFFAOYSA-N
MW456.28 g/mol
LogP4.47
Rot. Bonds5

About N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide

N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide (PubChem CID 28638781) has the molecular formula C21H17IN2O2 and a molecular weight of 456.28 g/mol. Its IUPAC name is N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide
PubChem CID28638781
Molecular FormulaC21H17IN2O2
Molecular Weight456.28 g/mol
Exact Mass456.03
IUPAC NameN-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C21H17IN2O2/c22-19-12-5-4-11-18(19)21(26)24-17-10-6-9-16(13-17)20(25)23-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyUNTZDAZPXYIDLY-UHFFFAOYSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.28
LogP ≤ 54.47
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

N-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 28638963
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 28638908
N-[3-(benzylcarbamoyl)phenyl]-2-propoxybenzamide
CID 28638895
N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
CID 43887216
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877730
N-benzyl-3-(2-phenylethylcarbamothioylamino)benzamide
CID 17023803
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide?
The IUPAC name of N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide (CID 28638781) is N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide is O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2I)c1.
What is the InChIKey of N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide?
The InChIKey is UNTZDAZPXYIDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17IN2O2/c22-19-12-5-4-11-18(19)21(26)24-17-10-6-9-16(13-17)20(25)23-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide?
N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide has a molecular weight of 456.28 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 28638781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).