3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide

C21H19ClN2O4 — CID 100711529

IUPAC3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C21H19ClN2O4/c1-2-27-19-10-9-14(12-17(19)22)20(25)24-18-8-4-3-7-16(18)21(26)23-13-15-6-5-11-28-15/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25)
InChIKeySXEGFTSNXZFETC-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.51
Rot. Bonds7

About 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide

3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 100711529) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID100711529
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C21H19ClN2O4/c1-2-27-19-10-9-14(12-17(19)22)20(25)24-18-8-4-3-7-16(18)21(26)23-13-15-6-5-11-28-15/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25)
InChIKeySXEGFTSNXZFETC-UHFFFAOYSA-N
XLogP4.51
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]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

5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 51283905
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085231
2-[[2-(2-ethoxyethoxy)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17122769
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 34657042
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methoxybenzamide
CID 4938587
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2207960

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide (CID 100711529) is 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is SXEGFTSNXZFETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-2-27-19-10-9-14(12-17(19)22)20(25)24-18-8-4-3-7-16(18)21(26)23-13-15-6-5-11-28-15/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide?
3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 398.85 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 100711529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).