2,3,5-triiodo-N-prop-2-enylbenzamide

C10H8I3NO — CID 4551510

IUPAC2,3,5-triiodo-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(I)cc(I)c1I
InChIInChI=1S/C10H8I3NO/c1-2-3-14-10(15)7-4-6(11)5-8(12)9(7)13/h2,4-5H,1,3H2,(H,14,15)
InChIKeyCKCZRUNIEXCXCM-UHFFFAOYSA-N
MW538.89 g/mol
LogP3.42
Rot. Bonds3

About 2,3,5-triiodo-N-prop-2-enylbenzamide

2,3,5-triiodo-N-prop-2-enylbenzamide (PubChem CID 4551510) has the molecular formula C10H8I3NO and a molecular weight of 538.89 g/mol. Its IUPAC name is 2,3,5-triiodo-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2,3,5-triiodo-N-prop-2-enylbenzamide
PubChem CID4551510
Molecular FormulaC10H8I3NO
Molecular Weight538.89 g/mol
Exact Mass538.77
IUPAC Name2,3,5-triiodo-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(I)cc(I)c1I
InChIInChI=1S/C10H8I3NO/c1-2-3-14-10(15)7-4-6(11)5-8(12)9(7)13/h2,4-5H,1,3H2,(H,14,15)
InChIKeyCKCZRUNIEXCXCM-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.89
LogP ≤ 53.42
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3,5-triiodobenzohydrazide
CID 15515243
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
N-tert-butyl-2,3,5-triiodobenzamide
CID 60629696
2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide
CID 2197329
2,3,5-triiodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 63404576
4-[(2,3,5-triiodobenzoyl)amino]benzoic acid
CID 63405162
trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide
CID 162771697
(1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate
CID 153287290
2,4-dihydroxy-N-prop-2-enylbenzamide
CID 103608413
4-[4-carboxy-3-(prop-2-enylcarbamoyl)phenyl]-2-(prop-2-enylcarbamoyl)benzoic acid
CID 70576867
2,4,6-triiodo-5-(methylamino)-1-N,3-N-bis(prop-2-enyl)benzene-1,3-dicarboxamide
CID 19777517
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triiodo-N-prop-2-enylbenzamide?
The IUPAC name of 2,3,5-triiodo-N-prop-2-enylbenzamide (CID 4551510) is 2,3,5-triiodo-N-prop-2-enylbenzamide.
What is the SMILES notation for 2,3,5-triiodo-N-prop-2-enylbenzamide?
The canonical SMILES for 2,3,5-triiodo-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(I)cc(I)c1I.
What is the InChIKey of 2,3,5-triiodo-N-prop-2-enylbenzamide?
The InChIKey is CKCZRUNIEXCXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8I3NO/c1-2-3-14-10(15)7-4-6(11)5-8(12)9(7)13/h2,4-5H,1,3H2,(H,14,15).
What are the key properties of 2,3,5-triiodo-N-prop-2-enylbenzamide?
2,3,5-triiodo-N-prop-2-enylbenzamide has a molecular weight of 538.89 g/mol, XLogP of 3.42, 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-prop-2-enylbenzamide is sourced from PubChem (CID 4551510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).