N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide

C15H16INO2 — CID 47442999

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
SMILESCc1cc(C(C)NC(=O)c2ccccc2I)c(C)o1
InChIInChI=1S/C15H16INO2/c1-9-8-13(11(3)19-9)10(2)17-15(18)12-6-4-5-7-14(12)16/h4-8,10H,1-3H3,(H,17,18)
InChIKeyAPJZYITUJGXPCM-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.99
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide (PubChem CID 47442999) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
PubChem CID47442999
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
SMILESCc1cc(C(C)NC(=O)c2ccccc2I)c(C)o1
InChIInChI=1S/C15H16INO2/c1-9-8-13(11(3)19-9)10(2)17-15(18)12-6-4-5-7-14(12)16/h4-8,10H,1-3H3,(H,17,18)
InChIKeyAPJZYITUJGXPCM-UHFFFAOYSA-N
XLogP3.99
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
CID 82829104
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
CID 94799638
2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 115540569
3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 103989173
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
CID 2981930
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
2-(cyclopentylamino)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-3-carboxamide
CID 95630402
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-hydrazinylbenzamide
CID 62248634

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide (CID 47442999) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide is Cc1cc(C(C)NC(=O)c2ccccc2I)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide?
The InChIKey is APJZYITUJGXPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-9-8-13(11(3)19-9)10(2)17-15(18)12-6-4-5-7-14(12)16/h4-8,10H,1-3H3,(H,17,18).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide has a molecular weight of 369.20 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 47442999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).