CID 44819162

C17H20BrN3O2 — CID 44819162

IUPAC—
SMILESCN1CCC(=O)C2(CCN(C)C23C(=O)Nc2ccc(Br)cc23)C1
InChIInChI=1S/C17H20BrN3O2/c1-20-7-5-14(22)16(10-20)6-8-21(2)17(16)12-9-11(18)3-4-13(12)19-15(17)23/h3-4,9H,5-8,10H2,1-2H3,(H,19,23)
InChIKeyKLLJJZPYJPDOKR-UHFFFAOYSA-N
MW378.27 g/mol
LogP1.82
Rot. Bonds

About CID 44819162

CID 44819162 (PubChem CID 44819162) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol.

Molecular Properties

Compound NameCID 44819162
PubChem CID44819162
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name—
SMILESCN1CCC(=O)C2(CCN(C)C23C(=O)Nc2ccc(Br)cc23)C1
InChIInChI=1S/C17H20BrN3O2/c1-20-7-5-14(22)16(10-20)6-8-21(2)17(16)12-9-11(18)3-4-13(12)19-15(17)23/h3-4,9H,5-8,10H2,1-2H3,(H,19,23)
InChIKeyKLLJJZPYJPDOKR-UHFFFAOYSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 44819162?
The IUPAC name of CID 44819162 (CID 44819162) is not available.
What is the SMILES notation for CID 44819162?
The canonical SMILES for CID 44819162 is CN1CCC(=O)C2(CCN(C)C23C(=O)Nc2ccc(Br)cc23)C1.
What is the InChIKey of CID 44819162?
The InChIKey is KLLJJZPYJPDOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-20-7-5-14(22)16(10-20)6-8-21(2)17(16)12-9-11(18)3-4-13(12)19-15(17)23/h3-4,9H,5-8,10H2,1-2H3,(H,19,23).
What are the key properties of CID 44819162?
CID 44819162 has a molecular weight of 378.27 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44819162 is sourced from PubChem (CID 44819162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).