N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide

C17H17ClINO2 — CID 16567606

IUPACN-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
SMILESO=C(NCCCCOc1ccc(Cl)cc1)c1cccc(I)c1
InChIInChI=1S/C17H17ClINO2/c18-14-6-8-16(9-7-14)22-11-2-1-10-20-17(21)13-4-3-5-15(19)12-13/h3-9,12H,1-2,10-11H2,(H,20,21)
InChIKeyOEDVBUDVPWKZQJ-UHFFFAOYSA-N
MW429.69 g/mol
LogP4.53
Rot. Bonds7

About N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide

N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide (PubChem CID 16567606) has the molecular formula C17H17ClINO2 and a molecular weight of 429.69 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
PubChem CID16567606
Molecular FormulaC17H17ClINO2
Molecular Weight429.69 g/mol
Exact Mass429.00
IUPAC NameN-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
SMILESO=C(NCCCCOc1ccc(Cl)cc1)c1cccc(I)c1
InChIInChI=1S/C17H17ClINO2/c18-14-6-8-16(9-7-14)22-11-2-1-10-20-17(21)13-4-3-5-15(19)12-13/h3-9,12H,1-2,10-11H2,(H,20,21)
InChIKeyOEDVBUDVPWKZQJ-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.69
LogP ≤ 54.53
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-[4-(4-chlorophenoxy)butylamino]-3-oxopropyl]-3-methylbenzamide
CID 18209020
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
4-chloro-N-[4-(4-chlorophenoxy)butyl]-3-nitrobenzamide
CID 16571869
N-[4-(4-chlorophenoxy)butyl]-3,4,5-triethoxybenzamide
CID 16571870
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
CID 9297573
N-[4-(4-chlorophenoxy)butyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 16571878
N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
CID 151448271

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide?
The IUPAC name of N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide (CID 16567606) is N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide is O=C(NCCCCOc1ccc(Cl)cc1)c1cccc(I)c1.
What is the InChIKey of N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide?
The InChIKey is OEDVBUDVPWKZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClINO2/c18-14-6-8-16(9-7-14)22-11-2-1-10-20-17(21)13-4-3-5-15(19)12-13/h3-9,12H,1-2,10-11H2,(H,20,21).
What are the key properties of N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide?
N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide has a molecular weight of 429.69 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide is sourced from PubChem (CID 16567606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).