N-(5-iodopentyl)-2-(2-methylphenyl)acetamide

C14H20INO — CID 107322612

IUPACN-(5-iodopentyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCCCCI
InChIInChI=1S/C14H20INO/c1-12-7-3-4-8-13(12)11-14(17)16-10-6-2-5-9-15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeyXDFNHOZCRGJCQK-UHFFFAOYSA-N
MW345.22 g/mol
LogP3.26
Rot. Bonds7

About N-(5-iodopentyl)-2-(2-methylphenyl)acetamide

N-(5-iodopentyl)-2-(2-methylphenyl)acetamide (PubChem CID 107322612) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is N-(5-iodopentyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-iodopentyl)-2-(2-methylphenyl)acetamide
PubChem CID107322612
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC NameN-(5-iodopentyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCCCCI
InChIInChI=1S/C14H20INO/c1-12-7-3-4-8-13(12)11-14(17)16-10-6-2-5-9-15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeyXDFNHOZCRGJCQK-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
CID 62033790
N-(3-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156
N-hex-5-ynyl-2-(2-methylphenyl)acetamide
CID 103758083
5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107320214
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588
2-(2-methylphenyl)-N-[2-(propylamino)ethyl]acetamide
CID 62658241
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
tert-butyl N-[3-[3-[[2-(2-methylphenyl)acetyl]amino]propylamino]-3-oxopropyl]carbamate
CID 108921667
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(5-iodopentyl)-2-(2-methylphenyl)acetamide (CID 107322612) is N-(5-iodopentyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(5-iodopentyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(5-iodopentyl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCCCCCI.
What is the InChIKey of N-(5-iodopentyl)-2-(2-methylphenyl)acetamide?
The InChIKey is XDFNHOZCRGJCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c1-12-7-3-4-8-13(12)11-14(17)16-10-6-2-5-9-15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of N-(5-iodopentyl)-2-(2-methylphenyl)acetamide?
N-(5-iodopentyl)-2-(2-methylphenyl)acetamide has a molecular weight of 345.22 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 107322612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).