CID 167457395

C14H13BrF2N2O2 — CID 167457395

IUPAC—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CC2(CC(F)(F)C2)C1
InChIInChI=1S/C14H13BrF2N2O2/c1-7-2-8(15)11(21)19-9(7)10(20)18-14(19)5-12(6-14)3-13(16,17)4-12/h2H,3-6H2,1H3,(H,18,20)
InChIKeyOWEHNBLNMQDKQS-UHFFFAOYSA-N
MW359.17 g/mol
LogP2.52
Rot. Bonds

About CID 167457395

CID 167457395 (PubChem CID 167457395) has the molecular formula C14H13BrF2N2O2 and a molecular weight of 359.17 g/mol.

Molecular Properties

Compound NameCID 167457395
PubChem CID167457395
Molecular FormulaC14H13BrF2N2O2
Molecular Weight359.17 g/mol
Exact Mass358.01
IUPAC Name—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CC2(CC(F)(F)C2)C1
InChIInChI=1S/C14H13BrF2N2O2/c1-7-2-8(15)11(21)19-9(7)10(20)18-14(19)5-12(6-14)3-13(16,17)4-12/h2H,3-6H2,1H3,(H,18,20)
InChIKeyOWEHNBLNMQDKQS-UHFFFAOYSA-N
XLogP2.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze CID 167457395 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 167457395?
The IUPAC name of CID 167457395 (CID 167457395) is not available.
What is the SMILES notation for CID 167457395?
The canonical SMILES for CID 167457395 is Cc1cc(Br)c(=O)n2c1C(=O)NC21CC2(CC(F)(F)C2)C1.
What is the InChIKey of CID 167457395?
The InChIKey is OWEHNBLNMQDKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O2/c1-7-2-8(15)11(21)19-9(7)10(20)18-14(19)5-12(6-14)3-13(16,17)4-12/h2H,3-6H2,1H3,(H,18,20).
What are the key properties of CID 167457395?
CID 167457395 has a molecular weight of 359.17 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167457395 is sourced from PubChem (CID 167457395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).