2,4,6-trifluoro-N-(5-iodopentyl)benzamide

C12H13F3INO — CID 107322261

IUPAC2,4,6-trifluoro-N-(5-iodopentyl)benzamide
SMILESO=C(NCCCCCI)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3INO/c13-8-6-9(14)11(10(15)7-8)12(18)17-5-3-1-2-4-16/h6-7H,1-5H2,(H,17,18)
InChIKeyURXKQIBYERPOIL-UHFFFAOYSA-N
MW371.14 g/mol
LogP3.44
Rot. Bonds6

About 2,4,6-trifluoro-N-(5-iodopentyl)benzamide

2,4,6-trifluoro-N-(5-iodopentyl)benzamide (PubChem CID 107322261) has the molecular formula C12H13F3INO and a molecular weight of 371.14 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(5-iodopentyl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(5-iodopentyl)benzamide
PubChem CID107322261
Molecular FormulaC12H13F3INO
Molecular Weight371.14 g/mol
Exact Mass371.00
IUPAC Name2,4,6-trifluoro-N-(5-iodopentyl)benzamide
SMILESO=C(NCCCCCI)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3INO/c13-8-6-9(14)11(10(15)7-8)12(18)17-5-3-1-2-4-16/h6-7H,1-5H2,(H,17,18)
InChIKeyURXKQIBYERPOIL-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.14
LogP ≤ 53.44
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-(6-bromohexyl)-2,4,6-trifluorobenzamide
CID 107847891
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
CID 65100894
2,5-difluoro-N-(4-iodobutyl)benzamide
CID 106846072
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
CID 114008622
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460515
3-bromo-4-fluoro-N-(6-iodohexyl)benzamide
CID 107956941
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
ethyl 4-[(2,4,6-trifluorobenzoyl)amino]butanoate
CID 65100634
4-chloro-3-fluoro-N-(6-iodohexyl)benzamide
CID 107994492

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(5-iodopentyl)benzamide?
The IUPAC name of 2,4,6-trifluoro-N-(5-iodopentyl)benzamide (CID 107322261) is 2,4,6-trifluoro-N-(5-iodopentyl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(5-iodopentyl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(5-iodopentyl)benzamide is O=C(NCCCCCI)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(5-iodopentyl)benzamide?
The InChIKey is URXKQIBYERPOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3INO/c13-8-6-9(14)11(10(15)7-8)12(18)17-5-3-1-2-4-16/h6-7H,1-5H2,(H,17,18).
What are the key properties of 2,4,6-trifluoro-N-(5-iodopentyl)benzamide?
2,4,6-trifluoro-N-(5-iodopentyl)benzamide has a molecular weight of 371.14 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(5-iodopentyl)benzamide is sourced from PubChem (CID 107322261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).