bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride

C40H36Br2Cl2N4O2 — CID 66978460

IUPACbis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Br)cn1)C(Cc1ccccc1)c1ccccc1.O=C(Nc1ccc(Br)cn1)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/2C20H17BrN2O.2ClH/c2*21-17-11-12-19(22-14-17)23-20(24)18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15;;/h2*1-12,14,18H,13H2,(H,22,23,24);2*1H
InChIKeyUQMSDHFZQRYDDP-UHFFFAOYSA-N
MW835.47 g/mol
LogP10.46
Rot. Bonds10

About bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride

bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride (PubChem CID 66978460) has the molecular formula C40H36Br2Cl2N4O2 and a molecular weight of 835.47 g/mol. Its IUPAC name is bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride.

Molecular Properties

Compound Namebis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride
PubChem CID66978460
Molecular FormulaC40H36Br2Cl2N4O2
Molecular Weight835.47 g/mol
Exact Mass832.06
IUPAC Namebis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Br)cn1)C(Cc1ccccc1)c1ccccc1.O=C(Nc1ccc(Br)cn1)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/2C20H17BrN2O.2ClH/c2*21-17-11-12-19(22-14-17)23-20(24)18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15;;/h2*1-12,14,18H,13H2,(H,22,23,24);2*1H
InChIKeyUQMSDHFZQRYDDP-UHFFFAOYSA-N
XLogP10.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.47
LogP ≤ 510.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride?
The IUPAC name of bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride (CID 66978460) is bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride.
What is the SMILES notation for bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride?
The canonical SMILES for bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride is Cl.Cl.O=C(Nc1ccc(Br)cn1)C(Cc1ccccc1)c1ccccc1.O=C(Nc1ccc(Br)cn1)C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride?
The InChIKey is UQMSDHFZQRYDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17BrN2O.2ClH/c2*21-17-11-12-19(22-14-17)23-20(24)18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15;;/h2*1-12,14,18H,13H2,(H,22,23,24);2*1H.
What are the key properties of bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride?
bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride has a molecular weight of 835.47 g/mol, XLogP of 10.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(5-bromo-2-pyridinyl)-2,3-diphenylpropanamide);dihydrochloride is sourced from PubChem (CID 66978460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).