N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide

C13H17F2NO3 — CID 79200943

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-9(17)2-7-12(18)16-8-10-3-5-11(6-4-10)19-13(14)15/h3-6,9,13,17H,2,7-8H2,1H3,(H,16,18)
InChIKeyZBBAFKZDVBEIJS-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.07
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide

N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide (PubChem CID 79200943) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
PubChem CID79200943
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-9(17)2-7-12(18)16-8-10-3-5-11(6-4-10)19-13(14)15/h3-6,9,13,17H,2,7-8H2,1H3,(H,16,18)
InChIKeyZBBAFKZDVBEIJS-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 60941319
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 114332833
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
CID 119689633
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide
CID 62839259
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
4-[[4-(difluoromethoxy)phenyl]methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302546

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide (CID 79200943) is N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide is CC(O)CCC(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide?
The InChIKey is ZBBAFKZDVBEIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-9(17)2-7-12(18)16-8-10-3-5-11(6-4-10)19-13(14)15/h3-6,9,13,17H,2,7-8H2,1H3,(H,16,18).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide has a molecular weight of 273.28 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide is sourced from PubChem (CID 79200943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).