1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide

C16H21ClN2O3 — CID 134043271

IUPAC1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C16H21ClN2O3/c1-11(22-14-9-5-4-7-12(14)17)15(20)19-10-6-8-13(19)16(21)18(2)3/h4-5,7,9,11,13H,6,8,10H2,1-3H3
InChIKeyFDHFYBIJKIGHPB-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 134043271) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID134043271
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C16H21ClN2O3/c1-11(22-14-9-5-4-7-12(14)17)15(20)19-10-6-8-13(19)16(21)18(2)3/h4-5,7,9,11,13H,6,8,10H2,1-3H3
InChIKeyFDHFYBIJKIGHPB-UHFFFAOYSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(2-chloro-5-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365437
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate
CID 43423891
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 136584493
(2S)-1-[(2R)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766785
(2S)-1-[(2S)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766784
2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 3717576
2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114680455
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
2-(2-chlorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119396508

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 134043271) is 1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide is CC(Oc1ccccc1Cl)C(=O)N1CCCC1C(=O)N(C)C.
What is the InChIKey of 1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is FDHFYBIJKIGHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-11(22-14-9-5-4-7-12(14)17)15(20)19-10-6-8-13(19)16(21)18(2)3/h4-5,7,9,11,13H,6,8,10H2,1-3H3.
What are the key properties of 1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134043271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).