N-acetyl-3,5-diiodo-2-iodosylbenzamide

C9H6I3NO3 — CID 23357591

IUPACN-acetyl-3,5-diiodo-2-iodosylbenzamide
SMILESCC(=O)NC(=O)c1cc(I)cc(I)c1I=O
InChIInChI=1S/C9H6I3NO3/c1-4(14)13-9(15)6-2-5(10)3-7(11)8(6)12-16/h2-3H,1H3,(H,13,14,15)
InChIKeyGNFIPUAHHDWVMT-UHFFFAOYSA-N
MW556.86 g/mol
LogP2.66
Rot. Bonds2

About N-acetyl-3,5-diiodo-2-iodosylbenzamide

N-acetyl-3,5-diiodo-2-iodosylbenzamide (PubChem CID 23357591) has the molecular formula C9H6I3NO3 and a molecular weight of 556.86 g/mol. Its IUPAC name is N-acetyl-3,5-diiodo-2-iodosylbenzamide.

Molecular Properties

Compound NameN-acetyl-3,5-diiodo-2-iodosylbenzamide
PubChem CID23357591
Molecular FormulaC9H6I3NO3
Molecular Weight556.86 g/mol
Exact Mass556.75
IUPAC NameN-acetyl-3,5-diiodo-2-iodosylbenzamide
SMILESCC(=O)NC(=O)c1cc(I)cc(I)c1I=O
InChIInChI=1S/C9H6I3NO3/c1-4(14)13-9(15)6-2-5(10)3-7(11)8(6)12-16/h2-3H,1H3,(H,13,14,15)
InChIKeyGNFIPUAHHDWVMT-UHFFFAOYSA-N
XLogP2.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.86
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,5-triiodophenyl)ethanone
CID 66827286
N-tert-butyl-2,3,5-triiodobenzamide
CID 60629696
2,3,5-triiodobenzohydrazide
CID 15515243
methyl 2-hydroxy-3,5-diiodobenzoate
CID 3695482
2,3,5-triiodo-N-propylbenzamide
CID 54149296
2-hydroxy-3,5-diiodo-N-methoxybenzamide
CID 60717158
(2S)-3-methyl-2-[(2,3,5-triiodobenzoyl)amino]butanoic acid
CID 63404941
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
CID 114619036
2,2,3-trimethyl-3-[(2,3,5-triiodobenzoyl)amino]butanoic acid
CID 65261315
(2S)-3-hydroxy-2-[(2,3,5-triiodobenzoyl)amino]propanoic acid
CID 63404701
1-(2,3-dibromo-5-iodophenyl)ethanone
CID 171001929
5-(acetylcarbamoyl)-2,3,4-triiodobenzoic acid;N,N-dimethylformamide
CID 20541159

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3,5-diiodo-2-iodosylbenzamide?
The IUPAC name of N-acetyl-3,5-diiodo-2-iodosylbenzamide (CID 23357591) is N-acetyl-3,5-diiodo-2-iodosylbenzamide.
What is the SMILES notation for N-acetyl-3,5-diiodo-2-iodosylbenzamide?
The canonical SMILES for N-acetyl-3,5-diiodo-2-iodosylbenzamide is CC(=O)NC(=O)c1cc(I)cc(I)c1I=O.
What is the InChIKey of N-acetyl-3,5-diiodo-2-iodosylbenzamide?
The InChIKey is GNFIPUAHHDWVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6I3NO3/c1-4(14)13-9(15)6-2-5(10)3-7(11)8(6)12-16/h2-3H,1H3,(H,13,14,15).
What are the key properties of N-acetyl-3,5-diiodo-2-iodosylbenzamide?
N-acetyl-3,5-diiodo-2-iodosylbenzamide has a molecular weight of 556.86 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3,5-diiodo-2-iodosylbenzamide is sourced from PubChem (CID 23357591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).