N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide

C20H15IN2O3 — CID 46498625

IUPACN-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide
SMILESO=C(Nc1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccccc1I
InChIInChI=1S/C20H15IN2O3/c21-17-11-5-4-10-16(17)19(24)23-18(13-15-9-6-12-26-15)20(25)22-14-7-2-1-3-8-14/h1-13H,(H,22,25)(H,23,24)/b18-13+
InChIKeyUFOKMKAKUHCCTN-QGOAFFKASA-N
MW458.26 g/mol
LogP4.29
Rot. Bonds5

About N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide

N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide (PubChem CID 46498625) has the molecular formula C20H15IN2O3 and a molecular weight of 458.26 g/mol. Its IUPAC name is N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide
PubChem CID46498625
Molecular FormulaC20H15IN2O3
Molecular Weight458.26 g/mol
Exact Mass458.01
IUPAC NameN-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide
SMILESO=C(Nc1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccccc1I
InChIInChI=1S/C20H15IN2O3/c21-17-11-5-4-10-16(17)19(24)23-18(13-15-9-6-12-26-15)20(25)22-14-7-2-1-3-8-14/h1-13H,(H,22,25)(H,23,24)/b18-13+
InChIKeyUFOKMKAKUHCCTN-QGOAFFKASA-N
XLogP4.29
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.26
LogP ≤ 54.29
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-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide
CID 2925240
N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
4-[[(E)-3-(furan-2-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoic acid
CID 2270500
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 99889205
N-[(Z)-1-(furan-2-yl)-3-(3-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100526931
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 103599554
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[4-(pyridin-4-ylmethyl)anilino]prop-1-en-2-yl]-2-methylbenzamide
CID 100559752
N-[3-[4-[9-[4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]fluoren-9-yl]anilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 71833282
N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 100500958
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide?
The IUPAC name of N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide (CID 46498625) is N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide.
What is the SMILES notation for N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide?
The canonical SMILES for N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide is O=C(Nc1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccccc1I.
What is the InChIKey of N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide?
The InChIKey is UFOKMKAKUHCCTN-QGOAFFKASA-N. The full InChI is InChI=1S/C20H15IN2O3/c21-17-11-5-4-10-16(17)19(24)23-18(13-15-9-6-12-26-15)20(25)22-14-7-2-1-3-8-14/h1-13H,(H,22,25)(H,23,24)/b18-13+.
What are the key properties of N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide?
N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide has a molecular weight of 458.26 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide is sourced from PubChem (CID 46498625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).