N-cyclopent-3-en-1-yl-2-iodobenzamide

C12H12INO — CID 115696698

IUPACN-cyclopent-3-en-1-yl-2-iodobenzamide
SMILESO=C(NC1CC=CC1)c1ccccc1I
InChIInChI=1S/C12H12INO/c13-11-8-4-3-7-10(11)12(15)14-9-5-1-2-6-9/h1-4,7-9H,5-6H2,(H,14,15)
InChIKeyJWICRYSHCZYQGX-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.74
Rot. Bonds2

About N-cyclopent-3-en-1-yl-2-iodobenzamide

N-cyclopent-3-en-1-yl-2-iodobenzamide (PubChem CID 115696698) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-iodobenzamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-iodobenzamide
PubChem CID115696698
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC NameN-cyclopent-3-en-1-yl-2-iodobenzamide
SMILESO=C(NC1CC=CC1)c1ccccc1I
InChIInChI=1S/C12H12INO/c13-11-8-4-3-7-10(11)12(15)14-9-5-1-2-6-9/h1-4,7-9H,5-6H2,(H,14,15)
InChIKeyJWICRYSHCZYQGX-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopent-3-en-1-yl-2-sulfanylbenzamide
CID 107035267
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
2-iodo-N-(3-methoxycyclobutyl)benzamide
CID 104578374
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108550284
4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108559708
N-cyclopropyl-2-hydroxy-3-iodobenzamide
CID 57086606
N-cyclopent-3-en-1-yl-1-hydroxynaphthalene-2-carboxamide
CID 115696816

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2-iodobenzamide?
The IUPAC name of N-cyclopent-3-en-1-yl-2-iodobenzamide (CID 115696698) is N-cyclopent-3-en-1-yl-2-iodobenzamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-iodobenzamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-iodobenzamide is O=C(NC1CC=CC1)c1ccccc1I.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-iodobenzamide?
The InChIKey is JWICRYSHCZYQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO/c13-11-8-4-3-7-10(11)12(15)14-9-5-1-2-6-9/h1-4,7-9H,5-6H2,(H,14,15).
What are the key properties of N-cyclopent-3-en-1-yl-2-iodobenzamide?
N-cyclopent-3-en-1-yl-2-iodobenzamide has a molecular weight of 313.14 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-iodobenzamide is sourced from PubChem (CID 115696698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).