CID 58197911

C19H24BrN3O2 — CID 58197911

IUPAC—
SMILESCCN1C(=O)C2(N=C1N)c1cc(Br)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C19H24BrN3O2/c1-3-23-16(24)19(22-17(23)21)15-10-13(20)5-4-12(15)11-18(19)8-6-14(25-2)7-9-18/h4-5,10,14H,3,6-9,11H2,1-2H3,(H2,21,22)
InChIKeyFEKUSSYESWNGIY-UHFFFAOYSA-N
MW406.32 g/mol
LogP2.95
Rot. Bonds2

About CID 58197911

CID 58197911 (PubChem CID 58197911) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol.

Molecular Properties

Compound NameCID 58197911
PubChem CID58197911
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name—
SMILESCCN1C(=O)C2(N=C1N)c1cc(Br)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C19H24BrN3O2/c1-3-23-16(24)19(22-17(23)21)15-10-13(20)5-4-12(15)11-18(19)8-6-14(25-2)7-9-18/h4-5,10,14H,3,6-9,11H2,1-2H3,(H2,21,22)
InChIKeyFEKUSSYESWNGIY-UHFFFAOYSA-N
XLogP2.95
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 58197911 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58197911?
The IUPAC name of CID 58197911 (CID 58197911) is not available.
What is the SMILES notation for CID 58197911?
The canonical SMILES for CID 58197911 is CCN1C(=O)C2(N=C1N)c1cc(Br)ccc1CC21CCC(OC)CC1.
What is the InChIKey of CID 58197911?
The InChIKey is FEKUSSYESWNGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-3-23-16(24)19(22-17(23)21)15-10-13(20)5-4-12(15)11-18(19)8-6-14(25-2)7-9-18/h4-5,10,14H,3,6-9,11H2,1-2H3,(H2,21,22).
What are the key properties of CID 58197911?
CID 58197911 has a molecular weight of 406.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197911 is sourced from PubChem (CID 58197911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).