2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide

C19H21IN2O2 — CID 108539180

IUPAC2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C19H21IN2O2/c1-14-6-8-15(9-7-14)10-11-18(23)21-12-13-22-19(24)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyHVMKARHGVSJZKD-UHFFFAOYSA-N
MW436.29 g/mol
LogP3.08
Rot. Bonds7

About 2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide

2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide (PubChem CID 108539180) has the molecular formula C19H21IN2O2 and a molecular weight of 436.29 g/mol. Its IUPAC name is 2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
PubChem CID108539180
Molecular FormulaC19H21IN2O2
Molecular Weight436.29 g/mol
Exact Mass436.06
IUPAC Name2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C19H21IN2O2/c1-14-6-8-15(9-7-14)10-11-18(23)21-12-13-22-19(24)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyHVMKARHGVSJZKD-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241
phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
CID 108574231
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[2-(3-phenylpropanoylamino)ethyl]-2-sulfanylbenzamide
CID 108542237
2-bromo-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108539128
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780837

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide (CID 108539180) is 2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide is Cc1ccc(CCC(=O)NCCNC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The InChIKey is HVMKARHGVSJZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O2/c1-14-6-8-15(9-7-14)10-11-18(23)21-12-13-22-19(24)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide has a molecular weight of 436.29 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 108539180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).