(2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

C15H19ClN2O2 — CID 71463300

IUPAC(2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@@H]1C(=O)NCc1ccc(Cl)cc1C
InChIInChI=1S/C15H19ClN2O2/c1-3-18-13(6-7-14(18)19)15(20)17-9-11-4-5-12(16)8-10(11)2/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyZOLYVZOMOOPULM-CYBMUJFWSA-N
MW294.78 g/mol
LogP2.28
Rot. Bonds4

About (2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 71463300) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID71463300
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@@H]1C(=O)NCc1ccc(Cl)cc1C
InChIInChI=1S/C15H19ClN2O2/c1-3-18-13(6-7-14(18)19)15(20)17-9-11-4-5-12(16)8-10(11)2/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyZOLYVZOMOOPULM-CYBMUJFWSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Gsk-1482160
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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
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m-Chlorobenzylamide, 2
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N-(Benzylsulfonyl)-D-Alanyl-N-[2-(Aminomethyl)-5-Chlorobenzyl]-L-Prolinamide
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Gsk1370319A
CID 67461788
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CID 20968164
5-chloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 11681778
5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646019
m-Chlorobenzylamide, 7
CID 44237086

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (CID 71463300) is (2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CC[C@@H]1C(=O)NCc1ccc(Cl)cc1C.
What is the InChIKey of (2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZOLYVZOMOOPULM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-18-13(6-7-14(18)19)15(20)17-9-11-4-5-12(16)8-10(11)2/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 71463300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).