2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide

C11H12F2INO — CID 114503969

IUPAC2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCCI)c1F
InChIInChI=1S/C11H12F2INO/c1-7-3-4-8(12)9(10(7)13)11(16)15-6-2-5-14/h3-4H,2,5-6H2,1H3,(H,15,16)
InChIKeyWASUDOSFRAQCNZ-UHFFFAOYSA-N
MW339.12 g/mol
LogP2.83
Rot. Bonds4

About 2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide

2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide (PubChem CID 114503969) has the molecular formula C11H12F2INO and a molecular weight of 339.12 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
PubChem CID114503969
Molecular FormulaC11H12F2INO
Molecular Weight339.12 g/mol
Exact Mass338.99
IUPAC Name2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCCI)c1F
InChIInChI=1S/C11H12F2INO/c1-7-3-4-8(12)9(10(7)13)11(16)15-6-2-5-14/h3-4H,2,5-6H2,1H3,(H,15,16)
InChIKeyWASUDOSFRAQCNZ-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 52.83
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

2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide
CID 82816392
N-(4-azidobutyl)-2,6-difluoro-3-methylbenzamide
CID 106386362
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
2,5-difluoro-N-(3-iodopropyl)benzamide
CID 114504363
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311
2-[2-[(2,6-difluoro-3-methylbenzoyl)amino]ethoxy]acetic acid
CID 82815436
2,6-difluoro-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 82800230
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
2,5-difluoro-N-(4-iodobutyl)benzamide
CID 106846072

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide (CID 114503969) is 2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide is Cc1ccc(F)c(C(=O)NCCCI)c1F.
What is the InChIKey of 2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide?
The InChIKey is WASUDOSFRAQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2INO/c1-7-3-4-8(12)9(10(7)13)11(16)15-6-2-5-14/h3-4H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide?
2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide has a molecular weight of 339.12 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide is sourced from PubChem (CID 114503969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).