(2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

C15H19ClN2O2 — CID 67459884

IUPAC(2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@@H]1C(=O)NCc1c(C)cccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-3-18-13(7-8-14(18)19)15(20)17-9-11-10(2)5-4-6-12(11)16/h4-6,13H,3,7-9H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyBREZEOYXHXJAJA-CYBMUJFWSA-N
MW294.78 g/mol
LogP2.28
Rot. Bonds4

About (2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 67459884) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID67459884
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@@H]1C(=O)NCc1c(C)cccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-3-18-13(7-8-14(18)19)15(20)17-9-11-10(2)5-4-6-12(11)16/h4-6,13H,3,7-9H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyBREZEOYXHXJAJA-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

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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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1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide
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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
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
5-chloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 11681778
m-Chlorobenzylamide, 7
CID 44237086
D-Phenylalanyl-N-(2,5-Dichlorobenzyl)-L-Prolinamide
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N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (CID 67459884) is (2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CC[C@@H]1C(=O)NCc1c(C)cccc1Cl.
What is the InChIKey of (2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BREZEOYXHXJAJA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-18-13(7-8-14(18)19)15(20)17-9-11-10(2)5-4-6-12(11)16/h4-6,13H,3,7-9H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(2-chloro-6-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-[(2-chloro-6-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67459884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).