1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide

C16H21ClN2O3 — CID 3245199

IUPAC1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O3/c1-22-10-4-9-18-16(21)14-7-8-15(20)19(14)11-12-5-2-3-6-13(12)17/h2-3,5-6,14H,4,7-11H2,1H3,(H,18,21)
InChIKeySLQVVKYIMOJGIK-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.98
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide

1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 3245199) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID3245199
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O3/c1-22-10-4-9-18-16(21)14-7-8-15(20)19(14)11-12-5-2-3-6-13(12)17/h2-3,5-6,14H,4,7-11H2,1H3,(H,18,21)
InChIKeySLQVVKYIMOJGIK-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Gsk-1482160
CID 23649427
D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25011732
Ono-1603
CID 9797271
m-Chlorobenzylamide, 2
CID 44237081
Gsk1370319A
CID 67461788
(S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-amino)-acetyl]-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide
CID 10744643
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
Gsk 1482160;gsk1482160
CID 45273136
m-Chlorobenzylamide, 7
CID 44237086
D-Phenylalanyl-N-(2,5-Dichlorobenzyl)-L-Prolinamide
CID 71449446
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide (CID 3245199) is 1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide is COCCCNC(=O)C1CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SLQVVKYIMOJGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-22-10-4-9-18-16(21)14-7-8-15(20)19(14)11-12-5-2-3-6-13(12)17/h2-3,5-6,14H,4,7-11H2,1H3,(H,18,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3245199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).