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

C14H17ClN2O2 — CID 67462995

IUPAC(2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Cl)ccc1CNC(=O)[C@@H]1CCC(=O)N1C
InChIInChI=1S/C14H17ClN2O2/c1-9-7-11(15)4-3-10(9)8-16-14(19)12-5-6-13(18)17(12)2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyNAJKILQNOODTSP-LBPRGKRZSA-N
MW280.75 g/mol
LogP1.89
Rot. Bonds3

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

(2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 67462995) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is (2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID67462995
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name(2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Cl)ccc1CNC(=O)[C@@H]1CCC(=O)N1C
InChIInChI=1S/C14H17ClN2O2/c1-9-7-11(15)4-3-10(9)8-16-14(19)12-5-6-13(18)17(12)2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyNAJKILQNOODTSP-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

Gsk-1482160
CID 23649427
D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
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Ono-1603
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N-(Benzylsulfonyl)glycyl-N-[2-(Aminomethyl)-5-Chlorobenzyl]-L-Prolinamide
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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
CID 56947160
Gsk1370319A
CID 67461788
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
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 (2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 67462995) is (2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is Cc1cc(Cl)ccc1CNC(=O)[C@@H]1CCC(=O)N1C.
What is the InChIKey of (2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NAJKILQNOODTSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-7-11(15)4-3-10(9)8-16-14(19)12-5-6-13(18)17(12)2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(4-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-[(4-chloro-2-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67462995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).