N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide

C14H11ClF2N2O2 — CID 129392827

IUPACN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide
SMILESO=C(NCCOc1ccc(Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-9-4-5-12(19-8-9)21-7-6-18-14(20)13-10(16)2-1-3-11(13)17/h1-5,8H,6-7H2,(H,18,20)
InChIKeyNKCWCPWZOMGPEF-UHFFFAOYSA-N
MW312.70 g/mol
LogP2.82
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide (PubChem CID 129392827) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide
PubChem CID129392827
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide
SMILESO=C(NCCOc1ccc(Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-9-4-5-12(19-8-9)21-7-6-18-14(20)13-10(16)2-1-3-11(13)17/h1-5,8H,6-7H2,(H,18,20)
InChIKeyNKCWCPWZOMGPEF-UHFFFAOYSA-N
XLogP2.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide
CID 71969648
2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropanamide
CID 119900750
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide
CID 129392878
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504370
2,6-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzamide
CID 41246588
2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30865871
7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride
CID 119900741
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101243
(2S)-2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-methylpentanamide;dihydrochloride
CID 119900805
2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
CID 113102839

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide (CID 129392827) is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide is O=C(NCCOc1ccc(Cl)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide?
The InChIKey is NKCWCPWZOMGPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-9-4-5-12(19-8-9)21-7-6-18-14(20)13-10(16)2-1-3-11(13)17/h1-5,8H,6-7H2,(H,18,20).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide?
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide has a molecular weight of 312.70 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 129392827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).