4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

C14H13FINO2 — CID 47220104

IUPAC4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(F)cc2I)o1
InChIInChI=1S/C14H13FINO2/c1-8-3-6-13(19-8)9(2)17-14(18)11-5-4-10(15)7-12(11)16/h3-7,9H,1-2H3,(H,17,18)
InChIKeyFUOBBLQXTRDMMX-UHFFFAOYSA-N
MW373.17 g/mol
LogP3.82
Rot. Bonds3

About 4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 47220104) has the molecular formula C14H13FINO2 and a molecular weight of 373.17 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID47220104
Molecular FormulaC14H13FINO2
Molecular Weight373.17 g/mol
Exact Mass373.00
IUPAC Name4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(F)cc2I)o1
InChIInChI=1S/C14H13FINO2/c1-8-3-6-13(19-8)9(2)17-14(18)11-5-4-10(15)7-12(11)16/h3-7,9H,1-2H3,(H,17,18)
InChIKeyFUOBBLQXTRDMMX-UHFFFAOYSA-N
XLogP3.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103642131
4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide
CID 103839185
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103764047
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
3,5-difluoro-4-(methylamino)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 63185216
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide
CID 47110574
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977
N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 51187726
4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide
CID 103708356
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 78836869

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (CID 47220104) is 4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(F)cc2I)o1.
What is the InChIKey of 4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is FUOBBLQXTRDMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO2/c1-8-3-6-13(19-8)9(2)17-14(18)11-5-4-10(15)7-12(11)16/h3-7,9H,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 373.17 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 47220104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).