5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid

C23H24ClNO6 — CID 59712399

IUPAC5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid
SMILESCCOc1ccc(C(=O)NCc2cc(CC3(C(=O)O)C=CCO3)ccc2OC)c(Cl)c1
InChIInChI=1S/C23H24ClNO6/c1-3-30-17-6-7-18(19(24)12-17)21(26)25-14-16-11-15(5-8-20(16)29-2)13-23(22(27)28)9-4-10-31-23/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyZSRGDLPPRMRSPD-UHFFFAOYSA-N
MW445.90 g/mol
LogP3.63
Rot. Bonds9

About 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid

5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid (PubChem CID 59712399) has the molecular formula C23H24ClNO6 and a molecular weight of 445.90 g/mol. Its IUPAC name is 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid
PubChem CID59712399
Molecular FormulaC23H24ClNO6
Molecular Weight445.90 g/mol
Exact Mass445.13
IUPAC Name5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid
SMILESCCOc1ccc(C(=O)NCc2cc(CC3(C(=O)O)C=CCO3)ccc2OC)c(Cl)c1
InChIInChI=1S/C23H24ClNO6/c1-3-30-17-6-7-18(19(24)12-17)21(26)25-14-16-11-15(5-8-20(16)29-2)13-23(22(27)28)9-4-10-31-23/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyZSRGDLPPRMRSPD-UHFFFAOYSA-N
XLogP3.63
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid with MolForge

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Related Compounds

5-[[3-[[(2-chloro-4-methoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid
CID 59712312
[2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolan-2-yl] hydrogen carbonate
CID 67957910
2-[[3-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-ethoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712325
4-[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-methoxyphenyl]thiophene-2-carboxylic acid
CID 59219070
2-[[3-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-4-methoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712357
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
5-[3-[[(2-chloro-4-propan-2-yloxybenzoyl)amino]methyl]-4-methoxyphenyl]-2-methoxybenzoic acid
CID 59219194
2-[[4-ethoxy-3-[[(4-propoxybenzoyl)amino]methyl]phenyl]methyl]-1,3-dioxolane-2-carboxylic acid
CID 59712370
2-chloro-N-[[5-(3-fluoro-5-formylphenyl)-2-methoxyphenyl]methyl]-4-propoxybenzamide
CID 89092645
2-[[3-[[(2-chloro-4-propoxybenzoyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712431
3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid
CID 59219280

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid?
The IUPAC name of 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid (CID 59712399) is 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid.
What is the SMILES notation for 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid?
The canonical SMILES for 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid is CCOc1ccc(C(=O)NCc2cc(CC3(C(=O)O)C=CCO3)ccc2OC)c(Cl)c1.
What is the InChIKey of 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid?
The InChIKey is ZSRGDLPPRMRSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO6/c1-3-30-17-6-7-18(19(24)12-17)21(26)25-14-16-11-15(5-8-20(16)29-2)13-23(22(27)28)9-4-10-31-23/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid?
5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid has a molecular weight of 445.90 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[[(2-chloro-4-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]methyl]-2H-furan-5-carboxylic acid is sourced from PubChem (CID 59712399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).