ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate

C23H21FN2O4 — CID 71729034

IUPACethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1C1C(=O)N(Cc2ccc(OC)cc2)c2ccc(F)cc21
InChIInChI=1S/C23H21FN2O4/c1-3-30-23(28)20-5-4-12-25(20)21-18-13-16(24)8-11-19(18)26(22(21)27)14-15-6-9-17(29-2)10-7-15/h4-13,21H,3,14H2,1-2H3
InChIKeyJDHAQLAVYWWBLV-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.95
Rot. Bonds6

About ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate

ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate (PubChem CID 71729034) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate
PubChem CID71729034
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Nameethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1C1C(=O)N(Cc2ccc(OC)cc2)c2ccc(F)cc21
InChIInChI=1S/C23H21FN2O4/c1-3-30-23(28)20-5-4-12-25(20)21-18-13-16(24)8-11-19(18)26(22(21)27)14-15-6-9-17(29-2)10-7-15/h4-13,21H,3,14H2,1-2H3
InChIKeyJDHAQLAVYWWBLV-UHFFFAOYSA-N
XLogP3.95
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate with MolForge

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Related Compounds

Methyl ((6-(5-(4-((3-methylbut-2-en-1-yl)oxy)phenyl)oxazol-2-yl)pyridin-3-yl)methyl)-L-prolinate
CID 137635377
2-methylpropyl (2Z)-2-{[(4-methoxyphenyl)carbonyl]amino}-3-(1-methyl-1H-indol-3-yl)prop-2-enoate
CID 1876396
butyl (2Z)-2-{[(4-methoxyphenyl)carbonyl]amino}-3-(1-methyl-1H-indol-3-yl)prop-2-enoate
CID 1882055
(Z)-2-(4-Methoxy-benzoylamino)-3-(1-methyl-1H-indol-3-yl)-acrylic acid 2-dimethylamino-ethyl ester
CID 1883031
4-methoxy-N-[(1Z)-1-(1-methyl-1H-indol-3-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1970321
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 2124170
N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 7162311
N-[(1Z)-1-(1-Ethyl-1H-indol-3-YL)-3-(morpholin-4-YL)-3-oxoprop-1-EN-2-YL]-4-methoxybenzamide
CID 24791572
2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 72696908
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2409536
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4790479
N-[(1S)-1-[4-[(3R)-1-[2-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668886

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate (CID 71729034) is ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate is CCOC(=O)c1cccn1C1C(=O)N(Cc2ccc(OC)cc2)c2ccc(F)cc21.
What is the InChIKey of ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate?
The InChIKey is JDHAQLAVYWWBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-3-30-23(28)20-5-4-12-25(20)21-18-13-16(24)8-11-19(18)26(22(21)27)14-15-6-9-17(29-2)10-7-15/h4-13,21H,3,14H2,1-2H3.
What are the key properties of ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate?
ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate has a molecular weight of 408.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]pyrrole-2-carboxylate is sourced from PubChem (CID 71729034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).