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

C14H16ClFN2O2 — CID 67458905

IUPAC(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C14H16ClFN2O2/c1-2-18-11(6-7-12(18)19)14(20)17-8-9-4-3-5-10(15)13(9)16/h3-5,11H,2,6-8H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyMZOGOEBWSGJBQB-NSHDSACASA-N
MW298.74 g/mol
LogP2.11
Rot. Bonds4

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

(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 67458905) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.74 g/mol. Its IUPAC name is (2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID67458905
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.74 g/mol
Exact Mass298.09
IUPAC Name(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C14H16ClFN2O2/c1-2-18-11(6-7-12(18)19)14(20)17-8-9-4-3-5-10(15)13(9)16/h3-5,11H,2,6-8H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyMZOGOEBWSGJBQB-NSHDSACASA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.11
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-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
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
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
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 (2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (CID 67458905) is (2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1F.
What is the InChIKey of (2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MZOGOEBWSGJBQB-NSHDSACASA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-2-18-11(6-7-12(18)19)14(20)17-8-9-4-3-5-10(15)13(9)16/h3-5,11H,2,6-8H2,1H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 298.74 g/mol, XLogP of 2.11, 4 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-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67458905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).