2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone

C134H162F7N13O7 — CID 159953207

IUPAC2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
SMILESCCN(C)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCN(CC)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCc1cc(C(=O)CN2CCCC2)c(CC)n1-c1ccc(F)cc1.Cc1cc(C(=O)CCCC(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)c2ccccc2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O.2C20H25FN2O.C19H23FN2O.C19H24FNO.C18H23FN2O.C17H21FN2O/c1-15-13-20(16(2)24(15)19-11-9-17(22)10-12-19)21(25)14-23(3)18-7-5-4-6-8-18;1-14-8-10-22(11-9-14)13-20(24)19-12-15(2)23(16(19)3)18-6-4-17(21)5-7-18;1-3-16-13-18(20(24)14-22-11-5-6-12-22)19(4-2)23(16)17-9-7-15(21)8-10-17;1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17;1-13(2)6-5-7-19(22)18-12-14(3)21(15(18)4)17-10-8-16(20)9-11-17;1-5-20(6-2)12-18(22)17-11-13(3)21(14(17)4)16-9-7-15(19)8-10-16;1-5-19(4)11-17(21)16-10-12(2)20(13(16)3)15-8-6-14(18)7-9-15/h4-13H,14H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3;7-10,13H,3-6,11-12,14H2,1-2H3;6-9,12H,3-5,10-11,13H2,1-2H3;8-13H,5-7H2,1-4H3;7-11H,5-6,12H2,1-4H3;6-10H,5,11H2,1-4H3
InChIKeyOCJNMMNZDJHLDX-UHFFFAOYSA-N
MW2199.84 g/mol
LogP28.99
Rot. Bonds36

About 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone

2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone (PubChem CID 159953207) has the molecular formula C134H162F7N13O7 and a molecular weight of 2199.84 g/mol. Its IUPAC name is 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
PubChem CID159953207
Molecular FormulaC134H162F7N13O7
Molecular Weight2199.84 g/mol
Exact Mass2198.26
IUPAC Name2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
SMILESCCN(C)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCN(CC)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCc1cc(C(=O)CN2CCCC2)c(CC)n1-c1ccc(F)cc1.Cc1cc(C(=O)CCCC(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)c2ccccc2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O.2C20H25FN2O.C19H23FN2O.C19H24FNO.C18H23FN2O.C17H21FN2O/c1-15-13-20(16(2)24(15)19-11-9-17(22)10-12-19)21(25)14-23(3)18-7-5-4-6-8-18;1-14-8-10-22(11-9-14)13-20(24)19-12-15(2)23(16(19)3)18-6-4-17(21)5-7-18;1-3-16-13-18(20(24)14-22-11-5-6-12-22)19(4-2)23(16)17-9-7-15(21)8-10-17;1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17;1-13(2)6-5-7-19(22)18-12-14(3)21(15(18)4)17-10-8-16(20)9-11-17;1-5-20(6-2)12-18(22)17-11-13(3)21(14(17)4)16-9-7-15(19)8-10-16;1-5-19(4)11-17(21)16-10-12(2)20(13(16)3)15-8-6-14(18)7-9-15/h4-13H,14H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3;7-10,13H,3-6,11-12,14H2,1-2H3;6-9,12H,3-5,10-11,13H2,1-2H3;8-13H,5-7H2,1-4H3;7-11H,5-6,12H2,1-4H3;6-10H,5,11H2,1-4H3
InChIKeyOCJNMMNZDJHLDX-UHFFFAOYSA-N
XLogP28.99
TPSA173.44 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002199.84
LogP ≤ 528.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone (CID 159953207) is 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone is CCN(C)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCN(CC)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.CCc1cc(C(=O)CN2CCCC2)c(CC)n1-c1ccc(F)cc1.Cc1cc(C(=O)CCCC(C)C)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN(C)c2ccccc2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(F)cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
The InChIKey is OCJNMMNZDJHLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O.2C20H25FN2O.C19H23FN2O.C19H24FNO.C18H23FN2O.C17H21FN2O/c1-15-13-20(16(2)24(15)19-11-9-17(22)10-12-19)21(25)14-23(3)18-7-5-4-6-8-18;1-14-8-10-22(11-9-14)13-20(24)19-12-15(2)23(16(19)3)18-6-4-17(21)5-7-18;1-3-16-13-18(20(24)14-22-11-5-6-12-22)19(4-2)23(16)17-9-7-15(21)8-10-17;1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17;1-13(2)6-5-7-19(22)18-12-14(3)21(15(18)4)17-10-8-16(20)9-11-17;1-5-20(6-2)12-18(22)17-11-13(3)21(14(17)4)16-9-7-15(19)8-10-16;1-5-19(4)11-17(21)16-10-12(2)20(13(16)3)15-8-6-14(18)7-9-15/h4-13H,14H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3;7-10,13H,3-6,11-12,14H2,1-2H3;6-9,12H,3-5,10-11,13H2,1-2H3;8-13H,5-7H2,1-4H3;7-11H,5-6,12H2,1-4H3;6-10H,5,11H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone?
2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 2199.84 g/mol, XLogP of 28.99, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone;2-[ethyl(methyl)amino]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(N-methylanilino)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methylhexan-1-one;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone;1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 159953207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).