N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide

C14H20INO2 — CID 103722668

IUPACN-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
SMILESCCCC(CCO)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C14H20INO2/c1-2-4-11(7-8-17)10-16-14(18)12-5-3-6-13(15)9-12/h3,5-6,9,11,17H,2,4,7-8,10H2,1H3,(H,16,18)
InChIKeyXUNAFJALNWIECQ-UHFFFAOYSA-N
MW361.22 g/mol
LogP2.82
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide

N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide (PubChem CID 103722668) has the molecular formula C14H20INO2 and a molecular weight of 361.22 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
PubChem CID103722668
Molecular FormulaC14H20INO2
Molecular Weight361.22 g/mol
Exact Mass361.05
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
SMILESCCCC(CCO)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C14H20INO2/c1-2-4-11(7-8-17)10-16-14(18)12-5-3-6-13(15)9-12/h3,5-6,9,11,17H,2,4,7-8,10H2,1H3,(H,16,18)
InChIKeyXUNAFJALNWIECQ-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722738
N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
CID 106115912
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
N-(2-bromopropyl)-3-iodobenzamide
CID 114308846
N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103722801
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
3-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzamide
CID 103729015
N-[2-(2-hydroxyethyl)pentyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 104873176

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide (CID 103722668) is N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide is CCCC(CCO)CNC(=O)c1cccc(I)c1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide?
The InChIKey is XUNAFJALNWIECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO2/c1-2-4-11(7-8-17)10-16-14(18)12-5-3-6-13(15)9-12/h3,5-6,9,11,17H,2,4,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide?
N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide has a molecular weight of 361.22 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide is sourced from PubChem (CID 103722668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).