CID 44819160

C17H19BrN2O2 — CID 44819160

IUPAC—
SMILESCN1CCC2(CCCCC2=O)C12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C17H19BrN2O2/c1-20-9-8-16(7-3-2-4-14(16)21)17(20)12-10-11(18)5-6-13(12)19-15(17)22/h5-6,10H,2-4,7-9H2,1H3,(H,19,22)
InChIKeyTWEQQEGZOGODAN-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.06
Rot. Bonds

About CID 44819160

CID 44819160 (PubChem CID 44819160) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol.

Molecular Properties

Compound NameCID 44819160
PubChem CID44819160
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name—
SMILESCN1CCC2(CCCCC2=O)C12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C17H19BrN2O2/c1-20-9-8-16(7-3-2-4-14(16)21)17(20)12-10-11(18)5-6-13(12)19-15(17)22/h5-6,10H,2-4,7-9H2,1H3,(H,19,22)
InChIKeyTWEQQEGZOGODAN-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 44819160?
The IUPAC name of CID 44819160 (CID 44819160) is not available.
What is the SMILES notation for CID 44819160?
The canonical SMILES for CID 44819160 is CN1CCC2(CCCCC2=O)C12C(=O)Nc1ccc(Br)cc12.
What is the InChIKey of CID 44819160?
The InChIKey is TWEQQEGZOGODAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-20-9-8-16(7-3-2-4-14(16)21)17(20)12-10-11(18)5-6-13(12)19-15(17)22/h5-6,10H,2-4,7-9H2,1H3,(H,19,22).
What are the key properties of CID 44819160?
CID 44819160 has a molecular weight of 363.26 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44819160 is sourced from PubChem (CID 44819160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).