N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide

C22H20N2O3 — CID 1292346

IUPACN-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(NC(=O)C=Cc3ccco3)cc2)c1C
InChIInChI=1S/C22H20N2O3/c1-15-5-3-7-20(16(15)2)24-22(26)17-8-10-18(11-9-17)23-21(25)13-12-19-6-4-14-27-19/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyLOXAXFOWLLEUPW-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.80
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide

N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide (PubChem CID 1292346) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide
PubChem CID1292346
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(NC(=O)C=Cc3ccco3)cc2)c1C
InChIInChI=1S/C22H20N2O3/c1-15-5-3-7-20(16(15)2)24-22(26)17-8-10-18(11-9-17)23-21(25)13-12-19-6-4-14-27-19/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyLOXAXFOWLLEUPW-UHFFFAOYSA-N
XLogP4.80
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 25493927
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide
CID 1007741
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
CID 695792
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
methyl 2-[[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoyl]amino]-3-hydroxybutanoate
CID 139401672
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 977709
4-[(E)-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061980
(E)-3-(furan-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 66485469

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide (CID 1292346) is N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide is Cc1cccc(NC(=O)c2ccc(NC(=O)C=Cc3ccco3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide?
The InChIKey is LOXAXFOWLLEUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-15-5-3-7-20(16(15)2)24-22(26)17-8-10-18(11-9-17)23-21(25)13-12-19-6-4-14-27-19/h3-14H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide?
N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide has a molecular weight of 360.41 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide is sourced from PubChem (CID 1292346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).