2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide

C17H18Cl2N2O2 — CID 86847750

IUPAC2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)N(c1cccnc1)C(C)C
InChIInChI=1S/C17H18Cl2N2O2/c1-11(2)21(13-5-4-8-20-10-13)17(22)12(3)23-14-6-7-15(18)16(19)9-14/h4-12H,1-3H3
InChIKeyJHFMWEACFQDDSW-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.60
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide

2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide (PubChem CID 86847750) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide
PubChem CID86847750
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)N(c1cccnc1)C(C)C
InChIInChI=1S/C17H18Cl2N2O2/c1-11(2)21(13-5-4-8-20-10-13)17(22)12(3)23-14-6-7-15(18)16(19)9-14/h4-12H,1-3H3
InChIKeyJHFMWEACFQDDSW-UHFFFAOYSA-N
XLogP4.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(3,4-dichlorophenoxy)-1-phenylpentane-1,3-dione
CID 23625448
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
2-pyridin-3-yloxypropanoic acid
CID 22668209
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide
CID 71974517
[1-(3,4-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23773848
3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide
CID 86847643
N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 62228733
N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide
CID 175078342
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
N-(1,3-benzothiazol-2-ylmethyl)-2-(3,4-dichlorophenoxy)-N-methylpropanamide
CID 134038096

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide (CID 86847750) is 2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)N(c1cccnc1)C(C)C.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide?
The InChIKey is JHFMWEACFQDDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11(2)21(13-5-4-8-20-10-13)17(22)12(3)23-14-6-7-15(18)16(19)9-14/h4-12H,1-3H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide?
2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide has a molecular weight of 353.25 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-propan-2-yl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 86847750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).