CID 58197015

C17H17BrF2N2O2 — CID 58197015

IUPAC—
SMILESCN1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCC(F)(F)CC1
InChIInChI=1S/C17H17BrF2N2O2/c1-22-13(23)17(21-14(22)24)12-8-11(18)3-2-10(12)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,21,24)
InChIKeyGPITZBJXGYTWDU-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.58
Rot. Bonds

About CID 58197015

CID 58197015 (PubChem CID 58197015) has the molecular formula C17H17BrF2N2O2 and a molecular weight of 399.24 g/mol.

Molecular Properties

Compound NameCID 58197015
PubChem CID58197015
Molecular FormulaC17H17BrF2N2O2
Molecular Weight399.24 g/mol
Exact Mass398.04
IUPAC Name—
SMILESCN1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCC(F)(F)CC1
InChIInChI=1S/C17H17BrF2N2O2/c1-22-13(23)17(21-14(22)24)12-8-11(18)3-2-10(12)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,21,24)
InChIKeyGPITZBJXGYTWDU-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
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 58197015?
The IUPAC name of CID 58197015 (CID 58197015) is not available.
What is the SMILES notation for CID 58197015?
The canonical SMILES for CID 58197015 is CN1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCC(F)(F)CC1.
What is the InChIKey of CID 58197015?
The InChIKey is GPITZBJXGYTWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N2O2/c1-22-13(23)17(21-14(22)24)12-8-11(18)3-2-10(12)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,21,24).
What are the key properties of CID 58197015?
CID 58197015 has a molecular weight of 399.24 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197015 is sourced from PubChem (CID 58197015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).