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

C12H15IN2O2 — CID 27742948

IUPAC2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C12H15IN2O2/c1-8(2)15-11(16)7-14-12(17)9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyHYKZQBICOGFJQS-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.55
Rot. Bonds4

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

2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 27742948) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID27742948
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC Name2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C12H15IN2O2/c1-8(2)15-11(16)7-14-12(17)9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyHYKZQBICOGFJQS-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.55
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

2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47165784
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid
CID 43567862
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713928
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
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2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
2-iodo-N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55510358
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-(3-chlorobutyl)-2-iodobenzamide
CID 114301785
N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide
CID 60518469
N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
CID 29265811

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 27742948) is 2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)CNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is HYKZQBICOGFJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c1-8(2)15-11(16)7-14-12(17)9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 346.17 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 27742948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).