3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide

C16H23ClN2O2 — CID 146401935

IUPAC3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
SMILESCN1CC[C@@H](NC(=O)C(C)(C)COc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,11-21-14-7-5-4-6-13(14)17)15(20)18-12-8-9-19(3)10-12/h4-7,12H,8-11H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeySKOGLGLFZWQSSQ-GFCCVEGCSA-N
MW310.82 g/mol
LogP2.57
Rot. Bonds5

About 3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide

3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide (PubChem CID 146401935) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
PubChem CID146401935
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
SMILESCN1CC[C@@H](NC(=O)C(C)(C)COc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,11-21-14-7-5-4-6-13(14)17)15(20)18-12-8-9-19(3)10-12/h4-7,12H,8-11H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeySKOGLGLFZWQSSQ-GFCCVEGCSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide (CID 146401935) is 3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide is CN1CC[C@@H](NC(=O)C(C)(C)COc2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
The InChIKey is SKOGLGLFZWQSSQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,11-21-14-7-5-4-6-13(14)17)15(20)18-12-8-9-19(3)10-12/h4-7,12H,8-11H2,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide has a molecular weight of 310.82 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2,2-dimethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 146401935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).