2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide

C22H17ClFN5O5 — CID 141423385

IUPAC2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1)c1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C22H17ClFN5O5/c1-3-28(20-9-8-19(29(31)32)18(11-25)27-20)22(30)13(2)33-15-4-6-16(7-5-15)34-21-17(24)10-14(23)12-26-21/h4-10,12-13H,3H2,1-2H3
InChIKeyZRCPTJVVCJIZFG-UHFFFAOYSA-N
MW485.86 g/mol
LogP4.66
Rot. Bonds8

About 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide

2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide (PubChem CID 141423385) has the molecular formula C22H17ClFN5O5 and a molecular weight of 485.86 g/mol. Its IUPAC name is 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide
PubChem CID141423385
Molecular FormulaC22H17ClFN5O5
Molecular Weight485.86 g/mol
Exact Mass485.09
IUPAC Name2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1)c1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C22H17ClFN5O5/c1-3-28(20-9-8-19(29(31)32)18(11-25)27-20)22(30)13(2)33-15-4-6-16(7-5-15)34-21-17(24)10-14(23)12-26-21/h4-10,12-13H,3H2,1-2H3
InChIKeyZRCPTJVVCJIZFG-UHFFFAOYSA-N
XLogP4.66
TPSA131.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.86
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide with MolForge

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Related Compounds

2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide
CID 141423379
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide
CID 141423423
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 22590912
CID 67929203
CID 67929203
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide
CID 155669175
5-chloro-3-fluoro-2-(4-nitrophenoxy)pyridine
CID 79728734
ethynyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 139247839
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide
CID 141423359
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]benzonitrile
CID 59849857
(2-ethoxy-2-oxoethyl)sulfanyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54054161
(2-butoxy-2-oxoethyl)sulfanyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54012610

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide?
The IUPAC name of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide (CID 141423385) is 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide.
What is the SMILES notation for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide?
The canonical SMILES for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide is CCN(C(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1)c1ccc([N+](=O)[O-])c(C#N)n1.
What is the InChIKey of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide?
The InChIKey is ZRCPTJVVCJIZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O5/c1-3-28(20-9-8-19(29(31)32)18(11-25)27-20)22(30)13(2)33-15-4-6-16(7-5-15)34-21-17(24)10-14(23)12-26-21/h4-10,12-13H,3H2,1-2H3.
What are the key properties of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide?
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide has a molecular weight of 485.86 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide is sourced from PubChem (CID 141423385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).