2-(benzylamino)-N-(4-iodophenyl)acetamide

C15H15IN2O — CID 2824675

IUPAC2-(benzylamino)-N-(4-iodophenyl)acetamide
SMILESO=C(CNCc1ccccc1)Nc1ccc(I)cc1
InChIInChI=1S/C15H15IN2O/c16-13-6-8-14(9-7-13)18-15(19)11-17-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)
InChIKeyNHHKLRGYGNMPFP-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.02
Rot. Bonds5

About 2-(benzylamino)-N-(4-iodophenyl)acetamide

2-(benzylamino)-N-(4-iodophenyl)acetamide (PubChem CID 2824675) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is 2-(benzylamino)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(4-iodophenyl)acetamide
PubChem CID2824675
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC Name2-(benzylamino)-N-(4-iodophenyl)acetamide
SMILESO=C(CNCc1ccccc1)Nc1ccc(I)cc1
InChIInChI=1S/C15H15IN2O/c16-13-6-8-14(9-7-13)18-15(19)11-17-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)
InChIKeyNHHKLRGYGNMPFP-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(benzylamino)-N-(4-iodophenyl)acetamide (CID 2824675) is 2-(benzylamino)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(benzylamino)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(benzylamino)-N-(4-iodophenyl)acetamide is O=C(CNCc1ccccc1)Nc1ccc(I)cc1.
What is the InChIKey of 2-(benzylamino)-N-(4-iodophenyl)acetamide?
The InChIKey is NHHKLRGYGNMPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O/c16-13-6-8-14(9-7-13)18-15(19)11-17-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19).
What are the key properties of 2-(benzylamino)-N-(4-iodophenyl)acetamide?
2-(benzylamino)-N-(4-iodophenyl)acetamide has a molecular weight of 366.20 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 2824675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).