CID 163296590

C15H14B4ClFN2O3 — CID 163296590

IUPAC—
SMILES[B]C1([B])CC(CNC(=O)c2cc(F)cc(Cl)c2)CC([B])([B])N1CC(=O)O
InChIInChI=1S/C15H14B4ClFN2O3/c16-14(17)4-8(5-15(18,19)23(14)7-12(24)25)6-22-13(26)9-1-10(20)3-11(21)2-9/h1-3,8H,4-7H2,(H,22,26)(H,24,25)
InChIKeyZFKICGMQHYKLNZ-UHFFFAOYSA-N
MW367.99 g/mol
LogP-0.01
Rot. Bonds5

About CID 163296590

CID 163296590 (PubChem CID 163296590) has the molecular formula C15H14B4ClFN2O3 and a molecular weight of 367.99 g/mol.

Molecular Properties

Compound NameCID 163296590
PubChem CID163296590
Molecular FormulaC15H14B4ClFN2O3
Molecular Weight367.99 g/mol
Exact Mass368.10
IUPAC Name—
SMILES[B]C1([B])CC(CNC(=O)c2cc(F)cc(Cl)c2)CC([B])([B])N1CC(=O)O
InChIInChI=1S/C15H14B4ClFN2O3/c16-14(17)4-8(5-15(18,19)23(14)7-12(24)25)6-22-13(26)9-1-10(20)3-11(21)2-9/h1-3,8H,4-7H2,(H,22,26)(H,24,25)
InChIKeyZFKICGMQHYKLNZ-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.99
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163296590?
The IUPAC name of CID 163296590 (CID 163296590) is not available.
What is the SMILES notation for CID 163296590?
The canonical SMILES for CID 163296590 is [B]C1([B])CC(CNC(=O)c2cc(F)cc(Cl)c2)CC([B])([B])N1CC(=O)O.
What is the InChIKey of CID 163296590?
The InChIKey is ZFKICGMQHYKLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14B4ClFN2O3/c16-14(17)4-8(5-15(18,19)23(14)7-12(24)25)6-22-13(26)9-1-10(20)3-11(21)2-9/h1-3,8H,4-7H2,(H,22,26)(H,24,25).
What are the key properties of CID 163296590?
CID 163296590 has a molecular weight of 367.99 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163296590 is sourced from PubChem (CID 163296590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).