N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide

C15H21ClN2O — CID 166072221

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1CCCN1C)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-11(12-5-7-13(16)8-6-12)17-15(19)10-14-4-3-9-18(14)2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)/t11-,14+/m0/s1
InChIKeyDBSCWOMVMHJMMZ-SMDDNHRTSA-N
MW280.80 g/mol
LogP3.00
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide (PubChem CID 166072221) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
PubChem CID166072221
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1CCCN1C)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-11(12-5-7-13(16)8-6-12)17-15(19)10-14-4-3-9-18(14)2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)/t11-,14+/m0/s1
InChIKeyDBSCWOMVMHJMMZ-SMDDNHRTSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide (CID 166072221) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide is C[C@H](NC(=O)C[C@H]1CCCN1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
The InChIKey is DBSCWOMVMHJMMZ-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(12-5-7-13(16)8-6-12)17-15(19)10-14-4-3-9-18(14)2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)/t11-,14+/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide has a molecular weight of 280.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166072221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).