N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide

C20H16Cl3N3O3 — CID 175078342

IUPACN-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N(C)c1ncccc1Cl
InChIInChI=1S/C20H16Cl3N3O3/c1-12(20(27)26(2)18-16(22)4-3-9-24-18)28-14-5-7-15(8-6-14)29-19-17(23)10-13(21)11-25-19/h3-12H,1-2H3
InChIKeyFRKIHARLAKPKRQ-UHFFFAOYSA-N
MW452.73 g/mol
LogP5.66
Rot. Bonds6

About N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide

N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide (PubChem CID 175078342) has the molecular formula C20H16Cl3N3O3 and a molecular weight of 452.73 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide
PubChem CID175078342
Molecular FormulaC20H16Cl3N3O3
Molecular Weight452.73 g/mol
Exact Mass451.03
IUPAC NameN-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N(C)c1ncccc1Cl
InChIInChI=1S/C20H16Cl3N3O3/c1-12(20(27)26(2)18-16(22)4-3-9-24-18)28-14-5-7-15(8-6-14)29-19-17(23)10-13(21)11-25-19/h3-12H,1-2H3
InChIKeyFRKIHARLAKPKRQ-UHFFFAOYSA-N
XLogP5.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.73
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide with MolForge

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Related Compounds

(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide
CID 141423423
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide
CID 155669175
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
[2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoyl-methylamino]-methoxy-oxophosphanium
CID 67900245
CID 67929203
CID 67929203
3-phenylmethoxypropyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 13132208
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 22590912
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2-(3,5-dichlorophenoxy)propanoate
CID 110193308
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-methylpropanamide
CID 86996582

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide (CID 175078342) is N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide is CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N(C)c1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide?
The InChIKey is FRKIHARLAKPKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3O3/c1-12(20(27)26(2)18-16(22)4-3-9-24-18)28-14-5-7-15(8-6-14)29-19-17(23)10-13(21)11-25-19/h3-12H,1-2H3.
What are the key properties of N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide?
N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide has a molecular weight of 452.73 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 175078342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).