5-iodo-2-[(2-phenoxyacetyl)amino]benzamide

C15H13IN2O3 — CID 122188000

IUPAC5-iodo-2-[(2-phenoxyacetyl)amino]benzamide
SMILESNC(=O)c1cc(I)ccc1NC(=O)COc1ccccc1
InChIInChI=1S/C15H13IN2O3/c16-10-6-7-13(12(8-10)15(17)20)18-14(19)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,20)(H,18,19)
InChIKeySSMKHHLWFKIXNJ-UHFFFAOYSA-N
MW396.18 g/mol
LogP2.41
Rot. Bonds5

About 5-iodo-2-[(2-phenoxyacetyl)amino]benzamide

5-iodo-2-[(2-phenoxyacetyl)amino]benzamide (PubChem CID 122188000) has the molecular formula C15H13IN2O3 and a molecular weight of 396.18 g/mol. Its IUPAC name is 5-iodo-2-[(2-phenoxyacetyl)amino]benzamide.

Molecular Properties

Compound Name5-iodo-2-[(2-phenoxyacetyl)amino]benzamide
PubChem CID122188000
Molecular FormulaC15H13IN2O3
Molecular Weight396.18 g/mol
Exact Mass396.00
IUPAC Name5-iodo-2-[(2-phenoxyacetyl)amino]benzamide
SMILESNC(=O)c1cc(I)ccc1NC(=O)COc1ccccc1
InChIInChI=1S/C15H13IN2O3/c16-10-6-7-13(12(8-10)15(17)20)18-14(19)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,20)(H,18,19)
InChIKeySSMKHHLWFKIXNJ-UHFFFAOYSA-N
XLogP2.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 52.41
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

N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
N-[2-(2-aminoacetyl)phenyl]-2-phenoxyacetamide
CID 170860834
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
CID 67733128
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 39183990
2-iodo-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 2204226
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
CID 62100305
3,4-bis[(2-phenoxyacetyl)amino]benzoate
CID 3511141

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(2-phenoxyacetyl)amino]benzamide?
The IUPAC name of 5-iodo-2-[(2-phenoxyacetyl)amino]benzamide (CID 122188000) is 5-iodo-2-[(2-phenoxyacetyl)amino]benzamide.
What is the SMILES notation for 5-iodo-2-[(2-phenoxyacetyl)amino]benzamide?
The canonical SMILES for 5-iodo-2-[(2-phenoxyacetyl)amino]benzamide is NC(=O)c1cc(I)ccc1NC(=O)COc1ccccc1.
What is the InChIKey of 5-iodo-2-[(2-phenoxyacetyl)amino]benzamide?
The InChIKey is SSMKHHLWFKIXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O3/c16-10-6-7-13(12(8-10)15(17)20)18-14(19)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,20)(H,18,19).
What are the key properties of 5-iodo-2-[(2-phenoxyacetyl)amino]benzamide?
5-iodo-2-[(2-phenoxyacetyl)amino]benzamide has a molecular weight of 396.18 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(2-phenoxyacetyl)amino]benzamide is sourced from PubChem (CID 122188000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).