(2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide

C17H23ClN2O2 — CID 128982495

IUPAC(2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)N(C)C1
InChIInChI=1S/C17H23ClN2O2/c1-20-11-14(22-2)10-15(20)16(21)19-17(8-3-9-17)12-4-6-13(18)7-5-12/h4-7,14-15H,3,8-11H2,1-2H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyYUNNIKREYJHNLI-GJZGRUSLSA-N
MW322.84 g/mol
LogP2.55
Rot. Bonds4

About (2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide

(2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide (PubChem CID 128982495) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
PubChem CID128982495
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)N(C)C1
InChIInChI=1S/C17H23ClN2O2/c1-20-11-14(22-2)10-15(20)16(21)19-17(8-3-9-17)12-4-6-13(18)7-5-12/h4-7,14-15H,3,8-11H2,1-2H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyYUNNIKREYJHNLI-GJZGRUSLSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide (CID 128982495) is (2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)N(C)C1.
What is the InChIKey of (2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The InChIKey is YUNNIKREYJHNLI-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-20-11-14(22-2)10-15(20)16(21)19-17(8-3-9-17)12-4-6-13(18)7-5-12/h4-7,14-15H,3,8-11H2,1-2H3,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
(2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 128982495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).