1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one

C21H24ClN3O2 — CID 126790945

IUPAC1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
SMILESO=C1C(Nc2ccccc2CN2CCOCC2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c22-17-5-3-6-18(14-17)25-9-8-20(21(25)26)23-19-7-2-1-4-16(19)15-24-10-12-27-13-11-24/h1-7,14,20,23H,8-13,15H2
InChIKeyBIUZUBFSYFMTBM-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.39
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one

1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one (PubChem CID 126790945) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
PubChem CID126790945
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
SMILESO=C1C(Nc2ccccc2CN2CCOCC2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c22-17-5-3-6-18(14-17)25-9-8-20(21(25)26)23-19-7-2-1-4-16(19)15-24-10-12-27-13-11-24/h1-7,14,20,23H,8-13,15H2
InChIKeyBIUZUBFSYFMTBM-UHFFFAOYSA-N
XLogP3.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one
CID 126788817
1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126781578
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one
CID 95255148
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 97011173
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-5-nitrobenzonitrile
CID 133338522
3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide
CID 119341058
1-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119439813
7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126785620

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one (CID 126790945) is 1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one is O=C1C(Nc2ccccc2CN2CCOCC2)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one?
The InChIKey is BIUZUBFSYFMTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-17-5-3-6-18(14-17)25-9-8-20(21(25)26)23-19-7-2-1-4-16(19)15-24-10-12-27-13-11-24/h1-7,14,20,23H,8-13,15H2.
What are the key properties of 1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one?
1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one has a molecular weight of 385.90 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one is sourced from PubChem (CID 126790945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).