2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C13H17IN2O2 — CID 47165784

IUPAC2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccccc1I
InChIInChI=1S/C13H17IN2O2/c1-9(2)16-12(17)7-8-15-13(18)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZETYNBHZRRZBSE-UHFFFAOYSA-N
MW360.20 g/mol
LogP1.94
Rot. Bonds5

About 2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 47165784) has the molecular formula C13H17IN2O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID47165784
Molecular FormulaC13H17IN2O2
Molecular Weight360.20 g/mol
Exact Mass360.03
IUPAC Name2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccccc1I
InChIInChI=1S/C13H17IN2O2/c1-9(2)16-12(17)7-8-15-13(18)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZETYNBHZRRZBSE-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.94
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-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47221536
N-(3-chlorobutyl)-2-iodobenzamide
CID 114301785
2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid
CID 115923717
2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 115670745
4-[(2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 80538349
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103734931
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 47165784) is 2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is CC(C)NC(=O)CCNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is ZETYNBHZRRZBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O2/c1-9(2)16-12(17)7-8-15-13(18)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 360.20 g/mol, XLogP of 1.94, 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-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 47165784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).