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

C17H23ClN2O2 — CID 42618100

IUPAC(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c1-2-11-19-17(22)15-4-3-12-20(15)16(21)10-7-13-5-8-14(18)9-6-13/h5-6,8-9,15H,2-4,7,10-12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyLANMDPSOBJFYGB-HNNXBMFYSA-N
MW322.84 g/mol
LogP2.79
Rot. Bonds6

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

(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide (PubChem CID 42618100) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide
PubChem CID42618100
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c1-2-11-19-17(22)15-4-3-12-20(15)16(21)10-7-13-5-8-14(18)9-6-13/h5-6,8-9,15H,2-4,7,10-12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyLANMDPSOBJFYGB-HNNXBMFYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Ono-1603
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(2~{s})-~{n}-[[2-(Aminomethyl)-5-Chloranyl-Phenyl]methyl]-1-[(2~{r})-2-Azanyl-3-Cyclohexyl-Propanoyl]pyrrolidine-2-Carboxamide
CID 129012068
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Gsk1370319A
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(S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-amino)-acetyl]-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide
CID 10744643
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CID 11039712

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide (CID 42618100) is (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide?
The InChIKey is LANMDPSOBJFYGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-2-11-19-17(22)15-4-3-12-20(15)16(21)10-7-13-5-8-14(18)9-6-13/h5-6,8-9,15H,2-4,7,10-12H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide?
(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.79, 6 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-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42618100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).