CID 58197143

C24H25BrN2O2 — CID 58197143

IUPAC—
SMILESCC(C)N1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C24H25BrN2O2/c1-15(2)27-21(28)24(26-22(27)29)20-13-19(25)8-7-18(20)14-23(24)11-9-16-5-3-4-6-17(16)10-12-23/h3-8,13,15H,9-12,14H2,1-2H3,(H,26,29)
InChIKeyAMQMDYSQBPWZOO-UHFFFAOYSA-N
MW453.38 g/mol
LogP4.73
Rot. Bonds1

About CID 58197143

CID 58197143 (PubChem CID 58197143) has the molecular formula C24H25BrN2O2 and a molecular weight of 453.38 g/mol.

Molecular Properties

Compound NameCID 58197143
PubChem CID58197143
Molecular FormulaC24H25BrN2O2
Molecular Weight453.38 g/mol
Exact Mass452.11
IUPAC Name—
SMILESCC(C)N1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C24H25BrN2O2/c1-15(2)27-21(28)24(26-22(27)29)20-13-19(25)8-7-18(20)14-23(24)11-9-16-5-3-4-6-17(16)10-12-23/h3-8,13,15H,9-12,14H2,1-2H3,(H,26,29)
InChIKeyAMQMDYSQBPWZOO-UHFFFAOYSA-N
XLogP4.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.38
LogP ≤ 54.73
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 58197143?
The IUPAC name of CID 58197143 (CID 58197143) is not available.
What is the SMILES notation for CID 58197143?
The canonical SMILES for CID 58197143 is CC(C)N1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197143?
The InChIKey is AMQMDYSQBPWZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O2/c1-15(2)27-21(28)24(26-22(27)29)20-13-19(25)8-7-18(20)14-23(24)11-9-16-5-3-4-6-17(16)10-12-23/h3-8,13,15H,9-12,14H2,1-2H3,(H,26,29).
What are the key properties of CID 58197143?
CID 58197143 has a molecular weight of 453.38 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197143 is sourced from PubChem (CID 58197143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).