CID 102130138

C21H15FN2O4 — CID 102130138

IUPAC—
SMILESCN1C(=O)C2(OC=C(C=O)C23C(=O)N(C)c2ccccc23)c2cc(F)ccc21
InChIInChI=1S/C21H15FN2O4/c1-23-16-6-4-3-5-14(16)20(18(23)26)12(10-25)11-28-21(20)15-9-13(22)7-8-17(15)24(2)19(21)27/h3-11H,1-2H3
InChIKeyDHCQZQTXYYZJMB-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.02
Rot. Bonds1

About CID 102130138

CID 102130138 (PubChem CID 102130138) has the molecular formula C21H15FN2O4 and a molecular weight of 378.36 g/mol.

Molecular Properties

Compound NameCID 102130138
PubChem CID102130138
Molecular FormulaC21H15FN2O4
Molecular Weight378.36 g/mol
Exact Mass378.10
IUPAC Name—
SMILESCN1C(=O)C2(OC=C(C=O)C23C(=O)N(C)c2ccccc23)c2cc(F)ccc21
InChIInChI=1S/C21H15FN2O4/c1-23-16-6-4-3-5-14(16)20(18(23)26)12(10-25)11-28-21(20)15-9-13(22)7-8-17(15)24(2)19(21)27/h3-11H,1-2H3
InChIKeyDHCQZQTXYYZJMB-UHFFFAOYSA-N
XLogP2.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102130138?
The IUPAC name of CID 102130138 (CID 102130138) is not available.
What is the SMILES notation for CID 102130138?
The canonical SMILES for CID 102130138 is CN1C(=O)C2(OC=C(C=O)C23C(=O)N(C)c2ccccc23)c2cc(F)ccc21.
What is the InChIKey of CID 102130138?
The InChIKey is DHCQZQTXYYZJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4/c1-23-16-6-4-3-5-14(16)20(18(23)26)12(10-25)11-28-21(20)15-9-13(22)7-8-17(15)24(2)19(21)27/h3-11H,1-2H3.
What are the key properties of CID 102130138?
CID 102130138 has a molecular weight of 378.36 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102130138 is sourced from PubChem (CID 102130138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).