2,5-difluoro-N-(4-iodobutyl)benzamide

C11H12F2INO — CID 106846072

IUPAC2,5-difluoro-N-(4-iodobutyl)benzamide
SMILESO=C(NCCCCI)c1cc(F)ccc1F
InChIInChI=1S/C11H12F2INO/c12-8-3-4-10(13)9(7-8)11(16)15-6-2-1-5-14/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeyUTYHQABGAROBJL-UHFFFAOYSA-N
MW339.12 g/mol
LogP2.91
Rot. Bonds5

About 2,5-difluoro-N-(4-iodobutyl)benzamide

2,5-difluoro-N-(4-iodobutyl)benzamide (PubChem CID 106846072) has the molecular formula C11H12F2INO and a molecular weight of 339.12 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-iodobutyl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(4-iodobutyl)benzamide
PubChem CID106846072
Molecular FormulaC11H12F2INO
Molecular Weight339.12 g/mol
Exact Mass338.99
IUPAC Name2,5-difluoro-N-(4-iodobutyl)benzamide
SMILESO=C(NCCCCI)c1cc(F)ccc1F
InChIInChI=1S/C11H12F2INO/c12-8-3-4-10(13)9(7-8)11(16)15-6-2-1-5-14/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeyUTYHQABGAROBJL-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 52.91
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

2,5-difluoro-N-(3-iodopropyl)benzamide
CID 114504363
2,5-difluoro-N-undecylbenzamide
CID 91717430
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
N-(3-chloropropyl)-2,5-difluorobenzamide
CID 43133472
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
CID 114008622
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
2,4,6-trifluoro-N-(5-iodopentyl)benzamide
CID 107322261
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(4-iodobutyl)benzamide?
The IUPAC name of 2,5-difluoro-N-(4-iodobutyl)benzamide (CID 106846072) is 2,5-difluoro-N-(4-iodobutyl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(4-iodobutyl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(4-iodobutyl)benzamide is O=C(NCCCCI)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(4-iodobutyl)benzamide?
The InChIKey is UTYHQABGAROBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2INO/c12-8-3-4-10(13)9(7-8)11(16)15-6-2-1-5-14/h3-4,7H,1-2,5-6H2,(H,15,16).
What are the key properties of 2,5-difluoro-N-(4-iodobutyl)benzamide?
2,5-difluoro-N-(4-iodobutyl)benzamide has a molecular weight of 339.12 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(4-iodobutyl)benzamide is sourced from PubChem (CID 106846072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).