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

C17H17Cl2NO3 — CID 26539751

IUPAC(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO3/c1-11(23-13-7-8-14(18)15(19)9-13)17(21)20-10-12-5-3-4-6-16(12)22-2/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyZDVCNCCJZUCPSM-NSHDSACASA-N
MW354.23 g/mol
LogP4.09
Rot. Bonds6

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

(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 26539751) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID26539751
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO3/c1-11(23-13-7-8-14(18)15(19)9-13)17(21)20-10-12-5-3-4-6-16(12)22-2/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyZDVCNCCJZUCPSM-NSHDSACASA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55517677
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyphenoxy)propanamide
CID 9172784
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 94472552
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 21173910
2-(2-chlorophenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 132656973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide (CID 26539751) is (2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is ZDVCNCCJZUCPSM-NSHDSACASA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-11(23-13-7-8-14(18)15(19)9-13)17(21)20-10-12-5-3-4-6-16(12)22-2/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide?
(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 354.23 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 26539751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).