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

C96H114F5N9O5 — CID 161030851

IUPAC2-[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.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.C20H25FN2O.C19H23FN2O.C19H24FNO.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;1-14-12-18(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;1-5-19(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;6-9,12H,3-5,10-11,13H2,1-2H3;8-13H,5-7H2,1-4H3;6-10H,5,11H2,1-4H3
InChIKeyTZPFKTDEKGUJFV-UHFFFAOYSA-N
MW1569.02 g/mol
LogP21.21
Rot. Bonds24

About 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-[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 161030851) has the molecular formula C96H114F5N9O5 and a molecular weight of 1569.02 g/mol. Its IUPAC name is 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-[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 CID161030851
Molecular FormulaC96H114F5N9O5
Molecular Weight1569.02 g/mol
Exact Mass1567.89
IUPAC Name2-[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.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.C20H25FN2O.C19H23FN2O.C19H24FNO.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;1-14-12-18(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;1-5-19(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;6-9,12H,3-5,10-11,13H2,1-2H3;8-13H,5-7H2,1-4H3;6-10H,5,11H2,1-4H3
InChIKeyTZPFKTDEKGUJFV-UHFFFAOYSA-N
XLogP21.21
TPSA122.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001569.02
LogP ≤ 521.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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-[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-[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 161030851) is 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-[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-[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.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-[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 TZPFKTDEKGUJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O.C20H25FN2O.C19H23FN2O.C19H24FNO.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;1-14-12-18(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;1-5-19(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;6-9,12H,3-5,10-11,13H2,1-2H3;8-13H,5-7H2,1-4H3;6-10H,5,11H2,1-4H3.
What are the key properties of 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-[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 1569.02 g/mol, XLogP of 21.21, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 161030851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).