2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide

C22H28F2N4O3 — CID 91166034

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide
SMILESCCCCCOc1cnc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1
InChIInChI=1S/C22H28F2N4O3/c1-3-5-6-8-31-18-13-25-22(26-14-18)28-21(30)19(7-4-2)27-20(29)11-15-9-16(23)12-17(24)10-15/h9-10,12-14,19H,3-8,11H2,1-2H3,(H,27,29)(H,25,26,28,30)
InChIKeyVCULSKRESAXXPB-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.79
Rot. Bonds12

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide (PubChem CID 91166034) has the molecular formula C22H28F2N4O3 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide
PubChem CID91166034
Molecular FormulaC22H28F2N4O3
Molecular Weight434.49 g/mol
Exact Mass434.21
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide
SMILESCCCCCOc1cnc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1
InChIInChI=1S/C22H28F2N4O3/c1-3-5-6-8-31-18-13-25-22(26-14-18)28-21(30)19(7-4-2)27-20(29)11-15-9-16(23)12-17(24)10-15/h9-10,12-14,19H,3-8,11H2,1-2H3,(H,27,29)(H,25,26,28,30)
InChIKeyVCULSKRESAXXPB-UHFFFAOYSA-N
XLogP3.79
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 11385090
N-[5-(3-tert-butylphenoxy)pyrimidin-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 11397848
N-[5-(butylaminomethyl)pyrazin-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 86598101
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-phenoxybutylsulfanyl)-1,3-thiazol-2-yl]pentanamide
CID 25010213
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide
CID 86598115
N-[5-[1-(butylamino)ethyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91275313
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pentanamide
CID 91001589
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide
CID 87904395
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide
CID 11211599
N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91592777
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide
CID 70343842
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide
CID 11407422

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide (CID 91166034) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide is CCCCCOc1cnc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide?
The InChIKey is VCULSKRESAXXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N4O3/c1-3-5-6-8-31-18-13-25-22(26-14-18)28-21(30)19(7-4-2)27-20(29)11-15-9-16(23)12-17(24)10-15/h9-10,12-14,19H,3-8,11H2,1-2H3,(H,27,29)(H,25,26,28,30).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide has a molecular weight of 434.49 g/mol, XLogP of 3.79, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide is sourced from PubChem (CID 91166034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).