N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

C18H18BrF2N3O2 — CID 11407656

IUPACN-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C18H18BrF2N3O2/c1-2-3-15(18(26)24-16-5-4-12(19)10-22-16)23-17(25)8-11-6-13(20)9-14(21)7-11/h4-7,9-10,15H,2-3,8H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyGMBPZJIPDFITIS-UHFFFAOYSA-N
MW426.26 g/mol
LogP3.59
Rot. Bonds7

About N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 11407656) has the molecular formula C18H18BrF2N3O2 and a molecular weight of 426.26 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID11407656
Molecular FormulaC18H18BrF2N3O2
Molecular Weight426.26 g/mol
Exact Mass425.06
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C18H18BrF2N3O2/c1-2-3-15(18(26)24-16-5-4-12(19)10-22-16)23-17(25)8-11-6-13(20)9-14(21)7-11/h4-7,9-10,15H,2-3,8H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyGMBPZJIPDFITIS-UHFFFAOYSA-N
XLogP3.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 11407656) is N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is GMBPZJIPDFITIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2N3O2/c1-2-3-15(18(26)24-16-5-4-12(19)10-22-16)23-17(25)8-11-6-13(20)9-14(21)7-11/h4-7,9-10,15H,2-3,8H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 426.26 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 11407656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).