N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide

C15H17IN2O2 — CID 51145105

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
SMILESCN(C)C(CNC(=O)c1ccc(I)cc1)c1ccco1
InChIInChI=1S/C15H17IN2O2/c1-18(2)13(14-4-3-9-20-14)10-17-15(19)11-5-7-12(16)8-6-11/h3-9,13H,10H2,1-2H3,(H,17,19)
InChIKeyLCFLZTRSFJEQCI-UHFFFAOYSA-N
MW384.22 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide (PubChem CID 51145105) has the molecular formula C15H17IN2O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
PubChem CID51145105
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
SMILESCN(C)C(CNC(=O)c1ccc(I)cc1)c1ccco1
InChIInChI=1S/C15H17IN2O2/c1-18(2)13(14-4-3-9-20-14)10-17-15(19)11-5-7-12(16)8-6-11/h3-9,13H,10H2,1-2H3,(H,17,19)
InChIKeyLCFLZTRSFJEQCI-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 66462156
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9152019
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 19114423
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55518843
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 4803620

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide (CID 51145105) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide is CN(C)C(CNC(=O)c1ccc(I)cc1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide?
The InChIKey is LCFLZTRSFJEQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c1-18(2)13(14-4-3-9-20-14)10-17-15(19)11-5-7-12(16)8-6-11/h3-9,13H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide has a molecular weight of 384.22 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide is sourced from PubChem (CID 51145105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).