ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate

C24H25FN2O4 — CID 5006164

IUPACethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(OC)cc2)c1C
InChIInChI=1S/C24H25FN2O4/c1-4-31-24(29)21-13-22(18-7-9-19(25)10-8-18)27(16(21)2)15-23(28)26-14-17-5-11-20(30-3)12-6-17/h5-13H,4,14-15H2,1-3H3,(H,26,28)
InChIKeyBHACPBUWGOKLCI-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.10
Rot. Bonds8

About ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate

ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate (PubChem CID 5006164) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate
PubChem CID5006164
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Nameethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(OC)cc2)c1C
InChIInChI=1S/C24H25FN2O4/c1-4-31-24(29)21-13-22(18-7-9-19(25)10-8-18)27(16(21)2)15-23(28)26-14-17-5-11-20(30-3)12-6-17/h5-13H,4,14-15H2,1-3H3,(H,26,28)
InChIKeyBHACPBUWGOKLCI-UHFFFAOYSA-N
XLogP4.10
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium (3R,5R)-7-[1-ethyl-3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)methyl]carbamoyl}-4-methyl-1H-pyrrol-2-yl]-3,5-dihydroxyheptanoate
CID 60021532
sodium (3R,5R)-7-[1-ethyl-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylcarbamoyl]-4-methylpyrrol-2-yl]-3,5-dihydroxyheptanoate
CID 23708541
ethyl 1-(3-{[3-(ethoxycarbonyl)phenyl]amino}-3-oxopropyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 4994807
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11475352
3-[1-(4-Carbamoyl-2-fluorophenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 46180954
N-(3-(4-(3-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide
CID 49863774
2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-4-carboxamide
CID 71566103
N-[4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)phenyl]acetamide
CID 139341591
2-[6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]ethyl 2,2,2-trifluoroacetate
CID 90374283
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 2474679
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 3179710

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate (CID 5006164) is ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(OC)cc2)c1C.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate?
The InChIKey is BHACPBUWGOKLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-4-31-24(29)21-13-22(18-7-9-19(25)10-8-18)27(16(21)2)15-23(28)26-14-17-5-11-20(30-3)12-6-17/h5-13H,4,14-15H2,1-3H3,(H,26,28).
What are the key properties of ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate?
ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate has a molecular weight of 424.47 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylpyrrole-3-carboxylate is sourced from PubChem (CID 5006164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).