5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid

C20H17N3O5 — CID 68831033

IUPAC5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1
InChIInChI=1S/C20H17N3O5/c1-12(24)21-14-6-8-16(9-7-14)23-20(27)22-15-4-2-13(3-5-15)17-10-11-18(28-17)19(25)26/h2-11H,1H3,(H,21,24)(H,25,26)(H2,22,23,27)
InChIKeyYMUZDDRUNGWGLK-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.25
Rot. Bonds5

About 5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid

5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid (PubChem CID 68831033) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid
PubChem CID68831033
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1
InChIInChI=1S/C20H17N3O5/c1-12(24)21-14-6-8-16(9-7-14)23-20(27)22-15-4-2-13(3-5-15)17-10-11-18(28-17)19(25)26/h2-11H,1H3,(H,21,24)(H,25,26)(H2,22,23,27)
InChIKeyYMUZDDRUNGWGLK-UHFFFAOYSA-N
XLogP4.25
TPSA120.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid (CID 68831033) is 5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid is CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1.
What is the InChIKey of 5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid?
The InChIKey is YMUZDDRUNGWGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-12(24)21-14-6-8-16(9-7-14)23-20(27)22-15-4-2-13(3-5-15)17-10-11-18(28-17)19(25)26/h2-11H,1H3,(H,21,24)(H,25,26)(H2,22,23,27).
What are the key properties of 5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid?
5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid has a molecular weight of 379.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 68831033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).