N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide

C22H19IN2O3 — CID 2925240

IUPACN-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide
SMILESO=C(NCCc1ccccc1)C(=Cc1ccco1)NC(=O)c1ccccc1I
InChIInChI=1S/C22H19IN2O3/c23-19-11-5-4-10-18(19)21(26)25-20(15-17-9-6-14-28-17)22(27)24-13-12-16-7-2-1-3-8-16/h1-11,14-15H,12-13H2,(H,24,27)(H,25,26)
InChIKeyDFDLRRMDXLKPNI-UHFFFAOYSA-N
MW486.31 g/mol
LogP4.01
Rot. Bonds7

About N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide

N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide (PubChem CID 2925240) has the molecular formula C22H19IN2O3 and a molecular weight of 486.31 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide
PubChem CID2925240
Molecular FormulaC22H19IN2O3
Molecular Weight486.31 g/mol
Exact Mass486.04
IUPAC NameN-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide
SMILESO=C(NCCc1ccccc1)C(=Cc1ccco1)NC(=O)c1ccccc1I
InChIInChI=1S/C22H19IN2O3/c23-19-11-5-4-10-18(19)21(26)25-20(15-17-9-6-14-28-17)22(27)24-13-12-16-7-2-1-3-8-16/h1-11,14-15H,12-13H2,(H,24,27)(H,25,26)
InChIKeyDFDLRRMDXLKPNI-UHFFFAOYSA-N
XLogP4.01
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.31
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide
CID 46498625
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 86942198
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 100746621
N-[1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3092968
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide
CID 100543952
4-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate
CID 2281559
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[2-(4-propylphenoxy)ethylamino]prop-1-en-2-yl]-2-methylbenzamide
CID 100564781
N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2063946
N-[(E)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 6020846
N-[1-(furan-2-yl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873413
2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 57382767
N-[(Z)-1-(furan-2-yl)-3-(4-methylpentylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 86942346

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide?
The IUPAC name of N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide (CID 2925240) is N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide?
The canonical SMILES for N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide is O=C(NCCc1ccccc1)C(=Cc1ccco1)NC(=O)c1ccccc1I.
What is the InChIKey of N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide?
The InChIKey is DFDLRRMDXLKPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19IN2O3/c23-19-11-5-4-10-18(19)21(26)25-20(15-17-9-6-14-28-17)22(27)24-13-12-16-7-2-1-3-8-16/h1-11,14-15H,12-13H2,(H,24,27)(H,25,26).
What are the key properties of N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide?
N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide has a molecular weight of 486.31 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide is sourced from PubChem (CID 2925240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).