CID 91424447

C17H18F2N2O2 — CID 91424447

IUPAC—
SMILESCc1ccc2c(c1)C1(NC(=O)NC1=O)C1(CCC(F)(F)CC1)C2
InChIInChI=1S/C17H18F2N2O2/c1-10-2-3-11-9-15(4-6-16(18,19)7-5-15)17(12(11)8-10)13(22)20-14(23)21-17/h2-3,8H,4-7,9H2,1H3,(H2,20,21,22,23)
InChIKeyKFLAHKMAVYZENR-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.78
Rot. Bonds

About CID 91424447

CID 91424447 (PubChem CID 91424447) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol.

Molecular Properties

Compound NameCID 91424447
PubChem CID91424447
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name—
SMILESCc1ccc2c(c1)C1(NC(=O)NC1=O)C1(CCC(F)(F)CC1)C2
InChIInChI=1S/C17H18F2N2O2/c1-10-2-3-11-9-15(4-6-16(18,19)7-5-15)17(12(11)8-10)13(22)20-14(23)21-17/h2-3,8H,4-7,9H2,1H3,(H2,20,21,22,23)
InChIKeyKFLAHKMAVYZENR-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 91424447?
The IUPAC name of CID 91424447 (CID 91424447) is not available.
What is the SMILES notation for CID 91424447?
The canonical SMILES for CID 91424447 is Cc1ccc2c(c1)C1(NC(=O)NC1=O)C1(CCC(F)(F)CC1)C2.
What is the InChIKey of CID 91424447?
The InChIKey is KFLAHKMAVYZENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-10-2-3-11-9-15(4-6-16(18,19)7-5-15)17(12(11)8-10)13(22)20-14(23)21-17/h2-3,8H,4-7,9H2,1H3,(H2,20,21,22,23).
What are the key properties of CID 91424447?
CID 91424447 has a molecular weight of 320.34 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91424447 is sourced from PubChem (CID 91424447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).