CID 164582465

C16H14BrClN2O2 — CID 164582465

IUPAC—
SMILESO=C1NC(=O)C2(CCC3(CC2)C(Br)=Cc2cc(Cl)ccc23)N1
InChIInChI=1S/C16H14BrClN2O2/c17-12-8-9-7-10(18)1-2-11(9)15(12)3-5-16(6-4-15)13(21)19-14(22)20-16/h1-2,7-8H,3-6H2,(H2,19,20,21,22)
InChIKeyRCUULDJMKKIDGI-UHFFFAOYSA-N
MW381.66 g/mol
LogP3.48
Rot. Bonds

About CID 164582465

CID 164582465 (PubChem CID 164582465) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol.

Molecular Properties

Compound NameCID 164582465
PubChem CID164582465
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC Name—
SMILESO=C1NC(=O)C2(CCC3(CC2)C(Br)=Cc2cc(Cl)ccc23)N1
InChIInChI=1S/C16H14BrClN2O2/c17-12-8-9-7-10(18)1-2-11(9)15(12)3-5-16(6-4-15)13(21)19-14(22)20-16/h1-2,7-8H,3-6H2,(H2,19,20,21,22)
InChIKeyRCUULDJMKKIDGI-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 53.48
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 164582465?
The IUPAC name of CID 164582465 (CID 164582465) is not available.
What is the SMILES notation for CID 164582465?
The canonical SMILES for CID 164582465 is O=C1NC(=O)C2(CCC3(CC2)C(Br)=Cc2cc(Cl)ccc23)N1.
What is the InChIKey of CID 164582465?
The InChIKey is RCUULDJMKKIDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c17-12-8-9-7-10(18)1-2-11(9)15(12)3-5-16(6-4-15)13(21)19-14(22)20-16/h1-2,7-8H,3-6H2,(H2,19,20,21,22).
What are the key properties of CID 164582465?
CID 164582465 has a molecular weight of 381.66 g/mol, XLogP of 3.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164582465 is sourced from PubChem (CID 164582465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).