N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide

C13H17F2NO2 — CID 49337433

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C13H17F2NO2/c1-2-3-7-12(17)16-9-10-5-4-6-11(8-10)18-13(14)15/h4-6,8,13H,2-3,7,9H2,1H3,(H,16,17)
InChIKeySEOIODUVGUUDNS-UHFFFAOYSA-N
MW257.28 g/mol
LogP3.09
Rot. Bonds7

About N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide

N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide (PubChem CID 49337433) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
PubChem CID49337433
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C13H17F2NO2/c1-2-3-7-12(17)16-9-10-5-4-6-11(8-10)18-13(14)15/h4-6,8,13H,2-3,7,9H2,1H3,(H,16,17)
InChIKeySEOIODUVGUUDNS-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
N-[[3-(difluoromethoxy)phenyl]methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 47087962
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide (CID 49337433) is N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide is CCCCC(=O)NCc1cccc(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide?
The InChIKey is SEOIODUVGUUDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-2-3-7-12(17)16-9-10-5-4-6-11(8-10)18-13(14)15/h4-6,8,13H,2-3,7,9H2,1H3,(H,16,17).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide?
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide has a molecular weight of 257.28 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 49337433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).