N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide

C21H16N4O3 — CID 1128741

IUPACN-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C21H16N4O3/c26-20(14-5-2-1-3-6-14)24-19(12-17-7-4-10-28-17)21(27)23-16-8-9-18-15(11-16)13-22-25-18/h1-13H,(H,22,25)(H,23,27)(H,24,26)
InChIKeyQPKBUQHMZQHRNX-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.57
Rot. Bonds5

About N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide

N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 1128741) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID1128741
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC NameN-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C21H16N4O3/c26-20(14-5-2-1-3-6-14)24-19(12-17-7-4-10-28-17)21(27)23-16-8-9-18-15(11-16)13-22-25-18/h1-13H,(H,22,25)(H,23,27)(H,24,26)
InChIKeyQPKBUQHMZQHRNX-UHFFFAOYSA-N
XLogP3.57
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
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-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942202
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100753628
N-[1-(furan-2-yl)-3-[4-methyl-3-(tetrazol-1-yl)anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 103599504
4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 103599554
N-[(Z)-1-(furan-2-yl)-3-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19310885
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[(Z)-3-(4-ethoxy-3-methoxyanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942231
N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599475
N-[3-(3,4-dimethylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2836098

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide (CID 1128741) is N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide is O=C(Nc1ccc2[nH]ncc2c1)C(=Cc1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is QPKBUQHMZQHRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-20(14-5-2-1-3-6-14)24-19(12-17-7-4-10-28-17)21(27)23-16-8-9-18-15(11-16)13-22-25-18/h1-13H,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide?
N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 372.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 1128741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).