(3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C21H22ClN3O4 — CID 29130407

IUPAC(3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H22ClN3O4/c22-16-6-8-18(9-7-16)29-14-19(26)23-10-11-24-21(28)15-12-20(27)25(13-15)17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,23,26)(H,24,28)/t15-/m1/s1
InChIKeyPNLFXOBVJUAZTI-OAHLLOKOSA-N
MW415.88 g/mol
LogP2.00
Rot. Bonds8

About (3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 29130407) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is (3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID29130407
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name(3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H22ClN3O4/c22-16-6-8-18(9-7-16)29-14-19(26)23-10-11-24-21(28)15-12-20(27)25(13-15)17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,23,26)(H,24,28)/t15-/m1/s1
InChIKeyPNLFXOBVJUAZTI-OAHLLOKOSA-N
XLogP2.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
(3R)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124579857
(3R)-1-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 126160823
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610242
(3R)-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29138872
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088
(3R)-1-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 40977719
(3R)-1-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 124581964
1-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 6493074
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 29130407) is (3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(COc1ccc(Cl)cc1)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is PNLFXOBVJUAZTI-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c22-16-6-8-18(9-7-16)29-14-19(26)23-10-11-24-21(28)15-12-20(27)25(13-15)17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,23,26)(H,24,28)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 29130407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).