N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide

C15H13Cl3N2O2 — CID 54787916

IUPACN-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)nc1
InChIInChI=1S/C15H13Cl3N2O2/c16-10-3-5-13(12(17)8-10)22-7-1-2-15(21)20-11-4-6-14(18)19-9-11/h3-6,8-9H,1-2,7H2,(H,20,21)
InChIKeyNZGOIYYDKMDDOM-UHFFFAOYSA-N
MW359.64 g/mol
LogP4.84
Rot. Bonds6

About N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide

N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 54787916) has the molecular formula C15H13Cl3N2O2 and a molecular weight of 359.64 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
PubChem CID54787916
Molecular FormulaC15H13Cl3N2O2
Molecular Weight359.64 g/mol
Exact Mass358.00
IUPAC NameN-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)nc1
InChIInChI=1S/C15H13Cl3N2O2/c16-10-3-5-13(12(17)8-10)22-7-1-2-15(21)20-11-4-6-14(18)19-9-11/h3-6,8-9H,1-2,7H2,(H,20,21)
InChIKeyNZGOIYYDKMDDOM-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.64
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
methyl N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]sulfonylcarbamate
CID 25120990
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl] acetate
CID 17341804
4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32943275
4-(2,4-dichlorophenoxy)-N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]-4-nitrophenyl]butanamide
CID 5181794
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide (CID 54787916) is N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is NZGOIYYDKMDDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O2/c16-10-3-5-13(12(17)8-10)22-7-1-2-15(21)20-11-4-6-14(18)19-9-11/h3-6,8-9H,1-2,7H2,(H,20,21).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide?
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 359.64 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 54787916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).