N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide

C13H18INO2 — CID 107199930

IUPACN-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1ccccc1I
InChIInChI=1S/C13H18INO2/c1-15(9-5-2-6-10-16)13(17)11-7-3-4-8-12(11)14/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKeyIEVAZHPVVRWYOP-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.53
Rot. Bonds6

About N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide

N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide (PubChem CID 107199930) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
PubChem CID107199930
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1ccccc1I
InChIInChI=1S/C13H18INO2/c1-15(9-5-2-6-10-16)13(17)11-7-3-4-8-12(11)14/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKeyIEVAZHPVVRWYOP-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-iodo-N-methylbenzamide
CID 81483846
2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
CID 43833989
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
CID 61400671
2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202478
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide
CID 107202593

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide?
The IUPAC name of N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide (CID 107199930) is N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide is CN(CCCCCO)C(=O)c1ccccc1I.
What is the InChIKey of N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide?
The InChIKey is IEVAZHPVVRWYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-15(9-5-2-6-10-16)13(17)11-7-3-4-8-12(11)14/h3-4,7-8,16H,2,5-6,9-10H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide?
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide has a molecular weight of 347.20 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide is sourced from PubChem (CID 107199930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).