N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide

C14H16INO2 — CID 114153815

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide
SMILESO=C(NCCC1=CCCC1)c1cc(I)ccc1O
InChIInChI=1S/C14H16INO2/c15-11-5-6-13(17)12(9-11)14(18)16-8-7-10-3-1-2-4-10/h3,5-6,9,17H,1-2,4,7-8H2,(H,16,18)
InChIKeyNEXUEJJQQUOKOO-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.23
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide

N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide (PubChem CID 114153815) has the molecular formula C14H16INO2 and a molecular weight of 357.19 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide
PubChem CID114153815
Molecular FormulaC14H16INO2
Molecular Weight357.19 g/mol
Exact Mass357.02
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide
SMILESO=C(NCCC1=CCCC1)c1cc(I)ccc1O
InChIInChI=1S/C14H16INO2/c15-11-5-6-13(17)12(9-11)14(18)16-8-7-10-3-1-2-4-10/h3,5-6,9,17H,1-2,4,7-8H2,(H,16,18)
InChIKeyNEXUEJJQQUOKOO-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 103842410
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
2-bromo-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 106173273
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-hydroxy-5-iodo-N-(2-morpholin-4-ylethyl)benzamide
CID 103600398
2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
CID 107732069
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide
CID 113330021
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide (CID 114153815) is N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide is O=C(NCCC1=CCCC1)c1cc(I)ccc1O.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide?
The InChIKey is NEXUEJJQQUOKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO2/c15-11-5-6-13(17)12(9-11)14(18)16-8-7-10-3-1-2-4-10/h3,5-6,9,17H,1-2,4,7-8H2,(H,16,18).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide?
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide has a molecular weight of 357.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 114153815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).