N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide

C15H16INO3 — CID 18783013

IUPACN-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide
SMILESO=C(CI)NCCc1coc2ccc3c(c12)CCCO3
InChIInChI=1S/C15H16INO3/c16-8-14(18)17-6-5-10-9-20-13-4-3-12-11(15(10)13)2-1-7-19-12/h3-4,9H,1-2,5-8H2,(H,17,18)
InChIKeyCNWXLMIEYHAJRV-UHFFFAOYSA-N
MW385.20 g/mol
LogP2.85
Rot. Bonds4

About N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide

N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide (PubChem CID 18783013) has the molecular formula C15H16INO3 and a molecular weight of 385.20 g/mol. Its IUPAC name is N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide.

Molecular Properties

Compound NameN-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide
PubChem CID18783013
Molecular FormulaC15H16INO3
Molecular Weight385.20 g/mol
Exact Mass385.02
IUPAC NameN-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide
SMILESO=C(CI)NCCc1coc2ccc3c(c12)CCCO3
InChIInChI=1S/C15H16INO3/c16-8-14(18)17-6-5-10-9-20-13-4-3-12-11(15(10)13)2-1-7-19-12/h3-4,9H,1-2,5-8H2,(H,17,18)
InChIKeyCNWXLMIEYHAJRV-UHFFFAOYSA-N
XLogP2.85
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide?
The IUPAC name of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide (CID 18783013) is N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide.
What is the SMILES notation for N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide?
The canonical SMILES for N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide is O=C(CI)NCCc1coc2ccc3c(c12)CCCO3.
What is the InChIKey of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide?
The InChIKey is CNWXLMIEYHAJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO3/c16-8-14(18)17-6-5-10-9-20-13-4-3-12-11(15(10)13)2-1-7-19-12/h3-4,9H,1-2,5-8H2,(H,17,18).
What are the key properties of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide?
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide has a molecular weight of 385.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide is sourced from PubChem (CID 18783013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).