N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide

C15H17IN2O2 — CID 51145107

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
SMILESCN(C)C(CNC(=O)c1cccc(I)c1)c1ccco1
InChIInChI=1S/C15H17IN2O2/c1-18(2)13(14-7-4-8-20-14)10-17-15(19)11-5-3-6-12(16)9-11/h3-9,13H,10H2,1-2H3,(H,17,19)
InChIKeyRVJKUPCPUMITSZ-UHFFFAOYSA-N
MW384.22 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide (PubChem CID 51145107) 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]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
PubChem CID51145107
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
SMILESCN(C)C(CNC(=O)c1cccc(I)c1)c1ccco1
InChIInChI=1S/C15H17IN2O2/c1-18(2)13(14-7-4-8-20-14)10-17-15(19)11-5-3-6-12(16)9-11/h3-9,13H,10H2,1-2H3,(H,17,19)
InChIKeyRVJKUPCPUMITSZ-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]-4-iodobenzamide
CID 51145105
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 4803620
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
CID 8504424
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[6-(ethylamino)pyridazin-3-yl]benzamide
CID 125447810
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[6-(ethylamino)pyridazin-3-yl]benzamide
CID 122571839
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide (CID 51145107) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide is CN(C)C(CNC(=O)c1cccc(I)c1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide?
The InChIKey is RVJKUPCPUMITSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c1-18(2)13(14-7-4-8-20-14)10-17-15(19)11-5-3-6-12(16)9-11/h3-9,13H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-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]-3-iodobenzamide is sourced from PubChem (CID 51145107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).