CID 58197010

C24H25BrN2O3 — CID 58197010

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(Br)cc1C21NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H25BrN2O3/c1-30-19-9-11-23(12-10-19)14-17-7-8-18(25)13-20(17)24(23)21(28)27(22(29)26-24)15-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14-15H2,1H3,(H,26,29)
InChIKeyDALDXVZWVAVOKE-UHFFFAOYSA-N
MW469.38 g/mol
LogP4.53
Rot. Bonds3

About CID 58197010

CID 58197010 (PubChem CID 58197010) has the molecular formula C24H25BrN2O3 and a molecular weight of 469.38 g/mol.

Molecular Properties

Compound NameCID 58197010
PubChem CID58197010
Molecular FormulaC24H25BrN2O3
Molecular Weight469.38 g/mol
Exact Mass468.10
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(Br)cc1C21NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H25BrN2O3/c1-30-19-9-11-23(12-10-19)14-17-7-8-18(25)13-20(17)24(23)21(28)27(22(29)26-24)15-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14-15H2,1H3,(H,26,29)
InChIKeyDALDXVZWVAVOKE-UHFFFAOYSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 58197010?
The IUPAC name of CID 58197010 (CID 58197010) is not available.
What is the SMILES notation for CID 58197010?
The canonical SMILES for CID 58197010 is COC1CCC2(CC1)Cc1ccc(Br)cc1C21NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of CID 58197010?
The InChIKey is DALDXVZWVAVOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O3/c1-30-19-9-11-23(12-10-19)14-17-7-8-18(25)13-20(17)24(23)21(28)27(22(29)26-24)15-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14-15H2,1H3,(H,26,29).
What are the key properties of CID 58197010?
CID 58197010 has a molecular weight of 469.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197010 is sourced from PubChem (CID 58197010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).