N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide

C21H20N2O3 — CID 51180458

IUPACN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C21H20N2O3/c1-14-9-10-17(15(2)12-14)21(25)23-19-8-4-3-7-18(19)20(24)22-13-16-6-5-11-26-16/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWRMLXTBADOXRFB-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide

N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide (PubChem CID 51180458) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
PubChem CID51180458
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C21H20N2O3/c1-14-9-10-17(15(2)12-14)21(25)23-19-8-4-3-7-18(19)20(24)22-13-16-6-5-11-26-16/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWRMLXTBADOXRFB-UHFFFAOYSA-N
XLogP4.08
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide 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

2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
CID 5115759
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 82120685
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 4938606
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9103530
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide (CID 51180458) is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c(C)c1.
What is the InChIKey of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide?
The InChIKey is WRMLXTBADOXRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-9-10-17(15(2)12-14)21(25)23-19-8-4-3-7-18(19)20(24)22-13-16-6-5-11-26-16/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide?
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide has a molecular weight of 348.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 51180458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).