CID 91873603

C20H16NO4 — CID 91873603

IUPAC—
SMILESCCOc1ccccc1NC(=O)c1c([C]=O)c(O)cc2ccccc12
InChIInChI=1S/C20H16NO4/c1-2-25-18-10-6-5-9-16(18)21-20(24)19-14-8-4-3-7-13(14)11-17(23)15(19)12-22/h3-11,23H,2H2,1H3,(H,21,24)
InChIKeyJFYHYDOLJMNHQY-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.65
Rot. Bonds5

About CID 91873603

CID 91873603 (PubChem CID 91873603) has the molecular formula C20H16NO4 and a molecular weight of 334.35 g/mol.

Molecular Properties

Compound NameCID 91873603
PubChem CID91873603
Molecular FormulaC20H16NO4
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name—
SMILESCCOc1ccccc1NC(=O)c1c([C]=O)c(O)cc2ccccc12
InChIInChI=1S/C20H16NO4/c1-2-25-18-10-6-5-9-16(18)21-20(24)19-14-8-4-3-7-13(14)11-17(23)15(19)12-22/h3-11,23H,2H2,1H3,(H,21,24)
InChIKeyJFYHYDOLJMNHQY-UHFFFAOYSA-N
XLogP3.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 91873603?
The IUPAC name of CID 91873603 (CID 91873603) is not available.
What is the SMILES notation for CID 91873603?
The canonical SMILES for CID 91873603 is CCOc1ccccc1NC(=O)c1c([C]=O)c(O)cc2ccccc12.
What is the InChIKey of CID 91873603?
The InChIKey is JFYHYDOLJMNHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NO4/c1-2-25-18-10-6-5-9-16(18)21-20(24)19-14-8-4-3-7-13(14)11-17(23)15(19)12-22/h3-11,23H,2H2,1H3,(H,21,24).
What are the key properties of CID 91873603?
CID 91873603 has a molecular weight of 334.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91873603 is sourced from PubChem (CID 91873603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).