CID 164582359

C17H17BrN2O2 — CID 164582359

IUPAC—
SMILESCc1ccc2c(c1)C=C(Br)C21CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C17H17BrN2O2/c1-10-2-3-12-11(8-10)9-13(18)16(12)4-6-17(7-5-16)14(21)19-15(22)20-17/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21,22)
InChIKeyYJVMIYSVDIJTSS-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.13
Rot. Bonds

About CID 164582359

CID 164582359 (PubChem CID 164582359) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol.

Molecular Properties

Compound NameCID 164582359
PubChem CID164582359
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name—
SMILESCc1ccc2c(c1)C=C(Br)C21CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C17H17BrN2O2/c1-10-2-3-12-11(8-10)9-13(18)16(12)4-6-17(7-5-16)14(21)19-15(22)20-17/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21,22)
InChIKeyYJVMIYSVDIJTSS-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 164582465
CID 164582465
CID 164582687
CID 164582687
6-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 21162203
2'-bromo-5'-methoxyspiro[cyclohexane-4,1'-indene]-1-one
CID 164583447
8-amino-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118281748
4',4'-difluoro-6-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 70960495
6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 10869704
(3R)-6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 118958026
1,3-diazaspiro[4.5]decane-2,4,8-trione
CID 66728930
8-(4-bromo-1-methylpyrrole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60709446
8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829225
(3R)-5-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 154872521

Frequently Asked Questions

What is the IUPAC name of CID 164582359?
The IUPAC name of CID 164582359 (CID 164582359) is not available.
What is the SMILES notation for CID 164582359?
The canonical SMILES for CID 164582359 is Cc1ccc2c(c1)C=C(Br)C21CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of CID 164582359?
The InChIKey is YJVMIYSVDIJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-10-2-3-12-11(8-10)9-13(18)16(12)4-6-17(7-5-16)14(21)19-15(22)20-17/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21,22).
What are the key properties of CID 164582359?
CID 164582359 has a molecular weight of 361.24 g/mol, XLogP of 3.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164582359 is sourced from PubChem (CID 164582359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).