5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid

C21H19NO4 — CID 91688493

IUPAC5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid
SMILESCCc1ccc(C(=O)Nc2ccc(C)c(-c3ccc(C(=O)O)o3)c2)cc1
InChIInChI=1S/C21H19NO4/c1-3-14-5-7-15(8-6-14)20(23)22-16-9-4-13(2)17(12-16)18-10-11-19(26-18)21(24)25/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyAHKNNFORDPFNSO-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.77
Rot. Bonds5

About 5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid

5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid (PubChem CID 91688493) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid
PubChem CID91688493
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid
SMILESCCc1ccc(C(=O)Nc2ccc(C)c(-c3ccc(C(=O)O)o3)c2)cc1
InChIInChI=1S/C21H19NO4/c1-3-14-5-7-15(8-6-14)20(23)22-16-9-4-13(2)17(12-16)18-10-11-19(26-18)21(24)25/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyAHKNNFORDPFNSO-UHFFFAOYSA-N
XLogP4.77
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-bromo-4-[(4-ethylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxylic acid
CID 91688408
5-[2-bromo-4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688551
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688511
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
5-[4-chloro-2-[(4-ethylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxylic acid
CID 91688366
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(4-ethylphenyl)benzamide
CID 774063
5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91688019
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081
5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid
CID 91688574
5-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688533

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid (CID 91688493) is 5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid is CCc1ccc(C(=O)Nc2ccc(C)c(-c3ccc(C(=O)O)o3)c2)cc1.
What is the InChIKey of 5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid?
The InChIKey is AHKNNFORDPFNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-3-14-5-7-15(8-6-14)20(23)22-16-9-4-13(2)17(12-16)18-10-11-19(26-18)21(24)25/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid?
5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-ethylbenzoyl)amino]-2-methylphenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91688493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).