2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone

C21H29FN2O — CID 90316002

IUPAC2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCCCN(CC)CC(=O)c1cc(C)n(CCc2ccc(F)cc2)c1C
InChIInChI=1S/C21H29FN2O/c1-5-12-23(6-2)15-21(25)20-14-16(3)24(17(20)4)13-11-18-7-9-19(22)10-8-18/h7-10,14H,5-6,11-13,15H2,1-4H3
InChIKeyUALXMIZTQNPSMV-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.40
Rot. Bonds9

About 2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone

2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone (PubChem CID 90316002) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
PubChem CID90316002
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC Name2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCCCN(CC)CC(=O)c1cc(C)n(CCc2ccc(F)cc2)c1C
InChIInChI=1S/C21H29FN2O/c1-5-12-23(6-2)15-21(25)20-14-16(3)24(17(20)4)13-11-18-7-9-19(22)10-8-18/h7-10,14H,5-6,11-13,15H2,1-4H3
InChIKeyUALXMIZTQNPSMV-UHFFFAOYSA-N
XLogP4.40
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 8864336
[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(4-fluorophenyl)prop-2-enoate
CID 3895825
2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43226614
2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 78818763
1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4237441
2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 7919465
[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methoxybenzoate
CID 7891305
[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 4543493
[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 3545417
2-bromo-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 122521315
[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 3293999
1-[2-(diethylamino)ethyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 16782594

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone?
The IUPAC name of 2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone (CID 90316002) is 2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone.
What is the SMILES notation for 2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone?
The canonical SMILES for 2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone is CCCN(CC)CC(=O)c1cc(C)n(CCc2ccc(F)cc2)c1C.
What is the InChIKey of 2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone?
The InChIKey is UALXMIZTQNPSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O/c1-5-12-23(6-2)15-21(25)20-14-16(3)24(17(20)4)13-11-18-7-9-19(22)10-8-18/h7-10,14H,5-6,11-13,15H2,1-4H3.
What are the key properties of 2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone?
2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone has a molecular weight of 344.47 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone is sourced from PubChem (CID 90316002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).