2,3,5-triiodo-N-propylbenzamide

C10H10I3NO — CID 54149296

IUPAC2,3,5-triiodo-N-propylbenzamide
SMILESCCCNC(=O)c1cc(I)cc(I)c1I
InChIInChI=1S/C10H10I3NO/c1-2-3-14-10(15)7-4-6(11)5-8(12)9(7)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyOGPSNCCUYFKBQN-UHFFFAOYSA-N
MW540.91 g/mol
LogP3.64
Rot. Bonds3

About 2,3,5-triiodo-N-propylbenzamide

2,3,5-triiodo-N-propylbenzamide (PubChem CID 54149296) has the molecular formula C10H10I3NO and a molecular weight of 540.91 g/mol. Its IUPAC name is 2,3,5-triiodo-N-propylbenzamide.

Molecular Properties

Compound Name2,3,5-triiodo-N-propylbenzamide
PubChem CID54149296
Molecular FormulaC10H10I3NO
Molecular Weight540.91 g/mol
Exact Mass540.79
IUPAC Name2,3,5-triiodo-N-propylbenzamide
SMILESCCCNC(=O)c1cc(I)cc(I)c1I
InChIInChI=1S/C10H10I3NO/c1-2-3-14-10(15)7-4-6(11)5-8(12)9(7)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyOGPSNCCUYFKBQN-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.91
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2,3,5-triiodobenzohydrazide
CID 15515243
2,3,5-triiodo-N-prop-2-enylbenzamide
CID 4551510
trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide
CID 162771697
N-butylsulfonyl-2,3,5-triiodobenzamide
CID 153287282
N-tert-butyl-2,3,5-triiodobenzamide
CID 60629696
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,3,5-triiodobenzamide
CID 65120111
1-(2,3,5-triiodophenyl)ethanone
CID 66827286
1-fluoroethyl 7-[(2,3,5-triiodobenzoyl)amino]heptanoate
CID 159107261
(1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate
CID 153287290
4-iodo-2-(methylamino)-N-propylbenzamide
CID 54521444
2-hydroxy-3,4,5-triiodo-N-pentylbenzamide
CID 13149464
N-cyclopentyl-2,3,5-triiodobenzamide
CID 60631264

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triiodo-N-propylbenzamide?
The IUPAC name of 2,3,5-triiodo-N-propylbenzamide (CID 54149296) is 2,3,5-triiodo-N-propylbenzamide.
What is the SMILES notation for 2,3,5-triiodo-N-propylbenzamide?
The canonical SMILES for 2,3,5-triiodo-N-propylbenzamide is CCCNC(=O)c1cc(I)cc(I)c1I.
What is the InChIKey of 2,3,5-triiodo-N-propylbenzamide?
The InChIKey is OGPSNCCUYFKBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10I3NO/c1-2-3-14-10(15)7-4-6(11)5-8(12)9(7)13/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 2,3,5-triiodo-N-propylbenzamide?
2,3,5-triiodo-N-propylbenzamide has a molecular weight of 540.91 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triiodo-N-propylbenzamide is sourced from PubChem (CID 54149296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).