2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide

C97H104ClN13O11S — CID 161222493

IUPAC2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccc3)C2)cn1.CC(=O)Nc1ccc(CC(=O)N2CCC(c3nccs3)C2)cc1.COc1ccc(C2CCN(C(=O)/C=C/c3ccc(NC(C)=O)nc3)C2)cc1.COc1ccccc1C1CCN(C(=O)/C=C/c2ccc(NC(C)=O)nc2)C1.O=C(Cc1ccccc1Cl)N1CCC(c2ccccc2)C1
InChIInChI=1S/2C21H23N3O3.C20H21N3O2.C18H18ClNO.C17H19N3O2S/c1-15(25)23-20-9-3-16(13-22-20)4-10-21(26)24-12-11-18(14-24)17-5-7-19(27-2)8-6-17;1-15(25)23-20-9-7-16(13-22-20)8-10-21(26)24-12-11-17(14-24)18-5-3-4-6-19(18)27-2;1-15(24)22-19-9-7-16(13-21-19)8-10-20(25)23-12-11-18(14-23)17-5-3-2-4-6-17;19-17-9-5-4-8-15(17)12-18(21)20-11-10-16(13-20)14-6-2-1-3-7-14;1-12(21)19-15-4-2-13(3-5-15)10-16(22)20-8-6-14(11-20)17-18-7-9-23-17/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,23,25);3-10,13,17H,11-12,14H2,1-2H3,(H,22,23,25);2-10,13,18H,11-12,14H2,1H3,(H,21,22,24);1-9,16H,10-13H2;2-5,7,9,14H,6,8,10-11H2,1H3,(H,19,21)/b10-4+;2*10-8+;;
InChIKeyUXRWDQSPVGQTMU-URESZOJWSA-N
MW1695.50 g/mol
LogP15.78
Rot. Bonds21

About 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide

2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide (PubChem CID 161222493) has the molecular formula C97H104ClN13O11S and a molecular weight of 1695.50 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide
PubChem CID161222493
Molecular FormulaC97H104ClN13O11S
Molecular Weight1695.50 g/mol
Exact Mass1693.74
IUPAC Name2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccc3)C2)cn1.CC(=O)Nc1ccc(CC(=O)N2CCC(c3nccs3)C2)cc1.COc1ccc(C2CCN(C(=O)/C=C/c3ccc(NC(C)=O)nc3)C2)cc1.COc1ccccc1C1CCN(C(=O)/C=C/c2ccc(NC(C)=O)nc2)C1.O=C(Cc1ccccc1Cl)N1CCC(c2ccccc2)C1
InChIInChI=1S/2C21H23N3O3.C20H21N3O2.C18H18ClNO.C17H19N3O2S/c1-15(25)23-20-9-3-16(13-22-20)4-10-21(26)24-12-11-18(14-24)17-5-7-19(27-2)8-6-17;1-15(25)23-20-9-7-16(13-22-20)8-10-21(26)24-12-11-17(14-24)18-5-3-4-6-19(18)27-2;1-15(24)22-19-9-7-16(13-21-19)8-10-20(25)23-12-11-18(14-23)17-5-3-2-4-6-17;19-17-9-5-4-8-15(17)12-18(21)20-11-10-16(13-20)14-6-2-1-3-7-14;1-12(21)19-15-4-2-13(3-5-15)10-16(22)20-8-6-14(11-20)17-18-7-9-23-17/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,23,25);3-10,13,17H,11-12,14H2,1-2H3,(H,22,23,25);2-10,13,18H,11-12,14H2,1H3,(H,21,22,24);1-9,16H,10-13H2;2-5,7,9,14H,6,8,10-11H2,1H3,(H,19,21)/b10-4+;2*10-8+;;
InChIKeyUXRWDQSPVGQTMU-URESZOJWSA-N
XLogP15.78
TPSA287.97 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001695.50
LogP ≤ 515.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide with MolForge

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Related Compounds

N-[5-[(E)-3-[3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;1-[3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone;2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-(2,6-difluorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone;N-[5-[(E)-3-oxo-3-(3-pyridin-2-ylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide
CID 158186259
1-[3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone;2-(2,3-difluorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone;N-[4-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide;N-[4-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]phenyl]acetamide;N-[5-[(E)-3-oxo-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide
CID 160641278
N-[5-(5-chloro-3-pyridinyl)-3-[4-[1-(3-methoxyphenyl)-2-oxo-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]-1,3-thiazol-3-ium-2-yl]-2-(3-methoxyphenyl)-2-phenylacetamide
CID 168957900

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide (CID 161222493) is 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(c3ccccc3)C2)cn1.CC(=O)Nc1ccc(CC(=O)N2CCC(c3nccs3)C2)cc1.COc1ccc(C2CCN(C(=O)/C=C/c3ccc(NC(C)=O)nc3)C2)cc1.COc1ccccc1C1CCN(C(=O)/C=C/c2ccc(NC(C)=O)nc2)C1.O=C(Cc1ccccc1Cl)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
The InChIKey is UXRWDQSPVGQTMU-URESZOJWSA-N. The full InChI is InChI=1S/2C21H23N3O3.C20H21N3O2.C18H18ClNO.C17H19N3O2S/c1-15(25)23-20-9-3-16(13-22-20)4-10-21(26)24-12-11-18(14-24)17-5-7-19(27-2)8-6-17;1-15(25)23-20-9-7-16(13-22-20)8-10-21(26)24-12-11-17(14-24)18-5-3-4-6-19(18)27-2;1-15(24)22-19-9-7-16(13-21-19)8-10-20(25)23-12-11-18(14-23)17-5-3-2-4-6-17;19-17-9-5-4-8-15(17)12-18(21)20-11-10-16(13-20)14-6-2-1-3-7-14;1-12(21)19-15-4-2-13(3-5-15)10-16(22)20-8-6-14(11-20)17-18-7-9-23-17/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,23,25);3-10,13,17H,11-12,14H2,1-2H3,(H,22,23,25);2-10,13,18H,11-12,14H2,1H3,(H,21,22,24);1-9,16H,10-13H2;2-5,7,9,14H,6,8,10-11H2,1H3,(H,19,21)/b10-4+;2*10-8+;;.
What are the key properties of 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide has a molecular weight of 1695.50 g/mol, XLogP of 15.78, 21 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;N-[5-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]acetamide;N-[4-[2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 161222493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).