(3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide

C15H18Cl2N2O3 — CID 97141170

IUPAC(3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H18Cl2N2O3/c1-2-18-15(21)10-5-6-19(8-10)14(20)9-22-13-4-3-11(16)7-12(13)17/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyMVMDWSKBLCCZDO-JTQLQIEISA-N
MW345.23 g/mol
LogP2.36
Rot. Bonds5

About (3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide

(3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide (PubChem CID 97141170) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is (3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide
PubChem CID97141170
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name(3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H18Cl2N2O3/c1-2-18-15(21)10-5-6-19(8-10)14(20)9-22-13-4-3-11(16)7-12(13)17/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyMVMDWSKBLCCZDO-JTQLQIEISA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403003
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
CID 17479123
1-[2-(4-chloro-2-methylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63032157
1-[2-(2,5-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63033015
1-[2-(2,4-dichlorophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119590
N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935300
1-[2-(4-bromo-2-chlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030929
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 166893420
1-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 155952715
1-[2-(2-bromo-4-chlorophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793924
2-cyano-N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922055

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide (CID 97141170) is (3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is MVMDWSKBLCCZDO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-2-18-15(21)10-5-6-19(8-10)14(20)9-22-13-4-3-11(16)7-12(13)17/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,18,21)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide?
(3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 345.23 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 97141170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).