(2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C14H17ClN2O2 — CID 67460694

IUPAC(2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)[C@@H]1CCC(=O)N1C
InChIInChI=1S/C14H17ClN2O2/c1-9-10(4-3-5-11(9)15)8-16-14(19)12-6-7-13(18)17(12)2/h3-5,12H,6-8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyQUJLAJRHAKHLCR-LBPRGKRZSA-N
MW280.75 g/mol
LogP1.89
Rot. Bonds3

About (2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 67460694) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is (2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID67460694
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name(2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)[C@@H]1CCC(=O)N1C
InChIInChI=1S/C14H17ClN2O2/c1-9-10(4-3-5-11(9)15)8-16-14(19)12-6-7-13(18)17(12)2/h3-5,12H,6-8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyQUJLAJRHAKHLCR-LBPRGKRZSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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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
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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
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CID 44237086
D-Phenylalanyl-N-(2,5-Dichlorobenzyl)-L-Prolinamide
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CID 42615253

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 67460694) is (2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCC(=O)N1C.
What is the InChIKey of (2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QUJLAJRHAKHLCR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-10(4-3-5-11(9)15)8-16-14(19)12-6-7-13(18)17(12)2/h3-5,12H,6-8H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67460694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).