2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide

C13H16ClFINO — CID 107322545

IUPAC2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCCCCI
InChIInChI=1S/C13H16ClFINO/c14-11-5-4-6-12(15)10(11)9-13(18)17-8-3-1-2-7-16/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyXZXMEGXTWKZFFQ-UHFFFAOYSA-N
MW383.63 g/mol
LogP3.74
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide (PubChem CID 107322545) has the molecular formula C13H16ClFINO and a molecular weight of 383.63 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
PubChem CID107322545
Molecular FormulaC13H16ClFINO
Molecular Weight383.63 g/mol
Exact Mass382.99
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCCCCI
InChIInChI=1S/C13H16ClFINO/c14-11-5-4-6-12(15)10(11)9-13(18)17-8-3-1-2-7-16/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyXZXMEGXTWKZFFQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 53.74
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

2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682499
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240
2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide
CID 106156758
N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 63253339
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
2-(2-chloro-6-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157049
2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 91792907
4-chloro-3-fluoro-N-(6-iodohexyl)benzamide
CID 107994492
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
N-(2-bromoprop-2-enyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 115594615

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide (CID 107322545) is 2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCCCCCI.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide?
The InChIKey is XZXMEGXTWKZFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFINO/c14-11-5-4-6-12(15)10(11)9-13(18)17-8-3-1-2-7-16/h4-6H,1-3,7-9H2,(H,17,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide has a molecular weight of 383.63 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide is sourced from PubChem (CID 107322545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).