N-[2-(3,4-difluorophenoxy)ethyl]pentanamide

C13H17F2NO2 — CID 113102441

IUPACN-[2-(3,4-difluorophenoxy)ethyl]pentanamide
SMILESCCCCC(=O)NCCOc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-2-3-4-13(17)16-7-8-18-10-5-6-11(14)12(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyXKTQATGMPWEMAA-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.65
Rot. Bonds7

About N-[2-(3,4-difluorophenoxy)ethyl]pentanamide

N-[2-(3,4-difluorophenoxy)ethyl]pentanamide (PubChem CID 113102441) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenoxy)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenoxy)ethyl]pentanamide
PubChem CID113102441
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-[2-(3,4-difluorophenoxy)ethyl]pentanamide
SMILESCCCCC(=O)NCCOc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-2-3-4-13(17)16-7-8-18-10-5-6-11(14)12(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyXKTQATGMPWEMAA-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
N-[2-(3,4-difluorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113102492
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390
N-[2-[3,4-bis(sulfanylmethyl)phenoxy]ethyl]heptanamide
CID 139514619
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide
CID 57162261
3-amino-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylbutanamide;hydrochloride
CID 120500595
3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]pentanamide?
The IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]pentanamide (CID 113102441) is N-[2-(3,4-difluorophenoxy)ethyl]pentanamide.
What is the SMILES notation for N-[2-(3,4-difluorophenoxy)ethyl]pentanamide?
The canonical SMILES for N-[2-(3,4-difluorophenoxy)ethyl]pentanamide is CCCCC(=O)NCCOc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenoxy)ethyl]pentanamide?
The InChIKey is XKTQATGMPWEMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-2-3-4-13(17)16-7-8-18-10-5-6-11(14)12(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of N-[2-(3,4-difluorophenoxy)ethyl]pentanamide?
N-[2-(3,4-difluorophenoxy)ethyl]pentanamide has a molecular weight of 257.28 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenoxy)ethyl]pentanamide is sourced from PubChem (CID 113102441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).