2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide

C17H18Cl2N2O2 — CID 119037053

IUPAC2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1ccncc1CN(C)C(=O)C(C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11-7-8-20-9-13(11)10-21(3)17(22)12(2)23-15-6-4-5-14(18)16(15)19/h4-9,12H,10H2,1-3H3
InChIKeyWCROMEKDSHGMIN-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.12
Rot. Bonds5

About 2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide

2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide (PubChem CID 119037053) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
PubChem CID119037053
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1ccncc1CN(C)C(=O)C(C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11-7-8-20-9-13(11)10-21(3)17(22)12(2)23-15-6-4-5-14(18)16(15)19/h4-9,12H,10H2,1-3H3
InChIKeyWCROMEKDSHGMIN-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-amino-2-oxoethyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide
CID 94207958
2-[(3-chloro-2-pyridinyl)oxy]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]acetamide
CID 166339233
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119656929
4-chloro-N-[(2S)-3-methyl-1-[methyl-[(4-methyl-3-pyridinyl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 100631781
N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 134028542
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119200838
(2R)-2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 92672742
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 55575443
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 28631292
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide
CID 122144545

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide (CID 119037053) is 2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide is Cc1ccncc1CN(C)C(=O)C(C)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
The InChIKey is WCROMEKDSHGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11-7-8-20-9-13(11)10-21(3)17(22)12(2)23-15-6-4-5-14(18)16(15)19/h4-9,12H,10H2,1-3H3.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide has a molecular weight of 353.25 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 119037053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).