ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate

C27H26FNO4 — CID 68666302

IUPACethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)Cc2ccc(F)cc2)Cc2ccc(-c3ccc(OC)cc3)cc2C1
InChIInChI=1S/C27H26FNO4/c1-3-33-26(31)27(29-25(30)14-18-4-10-23(28)11-5-18)16-21-7-6-20(15-22(21)17-27)19-8-12-24(32-2)13-9-19/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30)
InChIKeyMUHJQDLKZQHUHM-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.26
Rot. Bonds7

About ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate

ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate (PubChem CID 68666302) has the molecular formula C27H26FNO4 and a molecular weight of 447.51 g/mol. Its IUPAC name is ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate
PubChem CID68666302
Molecular FormulaC27H26FNO4
Molecular Weight447.51 g/mol
Exact Mass447.18
IUPAC Nameethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)Cc2ccc(F)cc2)Cc2ccc(-c3ccc(OC)cc3)cc2C1
InChIInChI=1S/C27H26FNO4/c1-3-33-26(31)27(29-25(30)14-18-4-10-23(28)11-5-18)16-21-7-6-20(15-22(21)17-27)19-8-12-24(32-2)13-9-19/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30)
InChIKeyMUHJQDLKZQHUHM-UHFFFAOYSA-N
XLogP4.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid
CID 59335689
ethyl 5-(4-chlorophenyl)-2-[[2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylate
CID 68667246
ethyl 2-[(2-bromoacetyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylate
CID 68666879
ethyl 5-(4-chlorophenyl)-2-[[2-(3-phenylmethoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate
CID 68666852
2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid
CID 59335621
5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335856
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 71161157
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335670
5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335787
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate (CID 68666302) is ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)Cc2ccc(F)cc2)Cc2ccc(-c3ccc(OC)cc3)cc2C1.
What is the InChIKey of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate?
The InChIKey is MUHJQDLKZQHUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FNO4/c1-3-33-26(31)27(29-25(30)14-18-4-10-23(28)11-5-18)16-21-7-6-20(15-22(21)17-27)19-8-12-24(32-2)13-9-19/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30).
What are the key properties of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate?
ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate has a molecular weight of 447.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 68666302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).