(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

C16H22ClN3O2 — CID 95127313

IUPAC(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN3O2/c1-3-19(2)9-8-18-16(22)12-10-15(21)20(11-12)14-7-5-4-6-13(14)17/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyHONRIMGXFRSHKJ-LBPRGKRZSA-N
MW323.82 g/mol
LogP1.76
Rot. Bonds6

About (3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95127313) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is (3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95127313
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN3O2/c1-3-19(2)9-8-18-16(22)12-10-15(21)20(11-12)14-7-5-4-6-13(14)17/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyHONRIMGXFRSHKJ-LBPRGKRZSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119429656
1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113190943
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 51159436
(3S)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 95130021
1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113190926
1-(2-chlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 42955847
N-[3-(benzimidazol-1-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 24553343
1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 42920333
1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191264
N-[2-(ethylamino)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119507215
1-(2-chlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 134056510

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 95127313) is (3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide is CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HONRIMGXFRSHKJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-3-19(2)9-8-18-16(22)12-10-15(21)20(11-12)14-7-5-4-6-13(14)17/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)/t12-/m0/s1.
What are the key properties of (3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95127313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).