N-cyclopentyl-2,3,5-triiodobenzamide

C12H12I3NO — CID 60631264

IUPACN-cyclopentyl-2,3,5-triiodobenzamide
SMILESO=C(NC1CCCC1)c1cc(I)cc(I)c1I
InChIInChI=1S/C12H12I3NO/c13-7-5-9(11(15)10(14)6-7)12(17)16-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17)
InChIKeyRSWYWEOMYOLFNK-UHFFFAOYSA-N
MW566.95 g/mol
LogP4.17
Rot. Bonds2

About N-cyclopentyl-2,3,5-triiodobenzamide

N-cyclopentyl-2,3,5-triiodobenzamide (PubChem CID 60631264) has the molecular formula C12H12I3NO and a molecular weight of 566.95 g/mol. Its IUPAC name is N-cyclopentyl-2,3,5-triiodobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2,3,5-triiodobenzamide
PubChem CID60631264
Molecular FormulaC12H12I3NO
Molecular Weight566.95 g/mol
Exact Mass566.81
IUPAC NameN-cyclopentyl-2,3,5-triiodobenzamide
SMILESO=C(NC1CCCC1)c1cc(I)cc(I)c1I
InChIInChI=1S/C12H12I3NO/c13-7-5-9(11(15)10(14)6-7)12(17)16-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17)
InChIKeyRSWYWEOMYOLFNK-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.95
LogP ≤ 54.17
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-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide
CID 43388711
2,3,5-triiodobenzohydrazide
CID 15515243
N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide
CID 171921545
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
2,3,5-triiodo-N-propylbenzamide
CID 54149296
3-chloro-N-cyclobutyl-5-iodobenzamide
CID 139600426
1-(2,3,5-triiodophenyl)ethanone
CID 66827286
N-cyclopentyl-6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carboxamide
CID 125491949
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cyclopropyl-2-hydroxy-3-iodobenzamide
CID 57086606
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,3,5-triiodobenzamide
CID 65120111
3-cyclopentyl-2,2-difluoro-3-(2,3,5-triiodobenzoyl)oxypropanoic acid
CID 162771756

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,3,5-triiodobenzamide?
The IUPAC name of N-cyclopentyl-2,3,5-triiodobenzamide (CID 60631264) is N-cyclopentyl-2,3,5-triiodobenzamide.
What is the SMILES notation for N-cyclopentyl-2,3,5-triiodobenzamide?
The canonical SMILES for N-cyclopentyl-2,3,5-triiodobenzamide is O=C(NC1CCCC1)c1cc(I)cc(I)c1I.
What is the InChIKey of N-cyclopentyl-2,3,5-triiodobenzamide?
The InChIKey is RSWYWEOMYOLFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12I3NO/c13-7-5-9(11(15)10(14)6-7)12(17)16-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17).
What are the key properties of N-cyclopentyl-2,3,5-triiodobenzamide?
N-cyclopentyl-2,3,5-triiodobenzamide has a molecular weight of 566.95 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,3,5-triiodobenzamide is sourced from PubChem (CID 60631264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).