2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone

C14H14INO2 — CID 62051012

IUPAC2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone
SMILESCN(CC(=O)c1ccc(I)cc1)Cc1ccco1
InChIInChI=1S/C14H14INO2/c1-16(9-13-3-2-8-18-13)10-14(17)11-4-6-12(15)7-5-11/h2-8H,9-10H2,1H3
InChIKeySLHUQAIHEOUYOX-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.20
Rot. Bonds5

About 2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone

2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone (PubChem CID 62051012) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone
PubChem CID62051012
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone
SMILESCN(CC(=O)c1ccc(I)cc1)Cc1ccco1
InChIInChI=1S/C14H14INO2/c1-16(9-13-3-2-8-18-13)10-14(17)11-4-6-12(15)7-5-11/h2-8H,9-10H2,1H3
InChIKeySLHUQAIHEOUYOX-UHFFFAOYSA-N
XLogP3.20
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
CID 62036997
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone (CID 62051012) is 2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone is CN(CC(=O)c1ccc(I)cc1)Cc1ccco1.
What is the InChIKey of 2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone?
The InChIKey is SLHUQAIHEOUYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c1-16(9-13-3-2-8-18-13)10-14(17)11-4-6-12(15)7-5-11/h2-8H,9-10H2,1H3.
What are the key properties of 2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone?
2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone has a molecular weight of 355.18 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 62051012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).