(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide

C15H19ClN2O2 — CID 42618099

IUPAC(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-17-15(20)13-3-2-10-18(13)14(19)9-6-11-4-7-12(16)8-5-11/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyZXLUENNDEBJIFM-ZDUSSCGKSA-N
MW294.78 g/mol
LogP2.01
Rot. Bonds4

About (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide

(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 42618099) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID42618099
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-17-15(20)13-3-2-10-18(13)14(19)9-6-11-4-7-12(16)8-5-11/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyZXLUENNDEBJIFM-ZDUSSCGKSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide (CID 42618099) is (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZXLUENNDEBJIFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-17-15(20)13-3-2-10-18(13)14(19)9-6-11-4-7-12(16)8-5-11/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42618099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).