N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide

C15H17IN2O2 — CID 43786918

IUPACN-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(NCc2ccc(I)o2)c1
InChIInChI=1S/C15H17IN2O2/c1-11(19)18(2)10-12-4-3-5-13(8-12)17-9-14-6-7-15(16)20-14/h3-8,17H,9-10H2,1-2H3
InChIKeyPHXDCFMLQBQUGT-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.47
Rot. Bonds5

About N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide

N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide (PubChem CID 43786918) has the molecular formula C15H17IN2O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
PubChem CID43786918
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC NameN-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(NCc2ccc(I)o2)c1
InChIInChI=1S/C15H17IN2O2/c1-11(19)18(2)10-12-4-3-5-13(8-12)17-9-14-6-7-15(16)20-14/h3-8,17H,9-10H2,1-2H3
InChIKeyPHXDCFMLQBQUGT-UHFFFAOYSA-N
XLogP3.47
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(5-iodofuran-2-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297515
N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43433505
N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide
CID 62950211
N-methyl-N-[[3-(pyrazin-2-ylmethylamino)phenyl]methyl]acetamide
CID 62762354
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 43783342
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
CID 62659590
N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide
CID 62066923
N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
CID 43724408
2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan
CID 43790228
N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide
CID 43768412
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide (CID 43786918) is N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cccc(NCc2ccc(I)o2)c1.
What is the InChIKey of N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide?
The InChIKey is PHXDCFMLQBQUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c1-11(19)18(2)10-12-4-3-5-13(8-12)17-9-14-6-7-15(16)20-14/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide?
N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide has a molecular weight of 384.22 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 43786918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).