2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide

C13H17ClINO2 — CID 107322523

IUPAC2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCCCI
InChIInChI=1S/C13H17ClINO2/c14-11-4-6-12(7-5-11)18-10-13(17)16-9-3-1-2-8-15/h4-7H,1-3,8-10H2,(H,16,17)
InChIKeyAXEMNMIODFZKNS-UHFFFAOYSA-N
MW381.64 g/mol
LogP3.44
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide

2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide (PubChem CID 107322523) has the molecular formula C13H17ClINO2 and a molecular weight of 381.64 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide
PubChem CID107322523
Molecular FormulaC13H17ClINO2
Molecular Weight381.64 g/mol
Exact Mass381.00
IUPAC Name2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCCCI
InChIInChI=1S/C13H17ClINO2/c14-11-4-6-12(7-5-11)18-10-13(17)16-9-3-1-2-8-15/h4-7H,1-3,8-10H2,(H,16,17)
InChIKeyAXEMNMIODFZKNS-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.64
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
methyl 6-[[2-(4-chlorophenoxy)acetyl]amino]hexanoate
CID 43404589
2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide
CID 62668489
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
2-(4-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-cyanoacetamide
CID 108537322
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide (CID 107322523) is 2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide is O=C(COc1ccc(Cl)cc1)NCCCCCI.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide?
The InChIKey is AXEMNMIODFZKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClINO2/c14-11-4-6-12(7-5-11)18-10-13(17)16-9-3-1-2-8-15/h4-7H,1-3,8-10H2,(H,16,17).
What are the key properties of 2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide?
2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide has a molecular weight of 381.64 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide is sourced from PubChem (CID 107322523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).