1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide

C24H23FN2O3 — CID 142502558

IUPAC1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)C3(C)C)o1
InChIInChI=1S/C24H23FN2O3/c1-15-4-10-19(30-15)13-26-22(28)17-7-11-20-21(12-17)27(23(29)24(20,2)3)14-16-5-8-18(25)9-6-16/h4-12H,13-14H2,1-3H3,(H,26,28)
InChIKeyAPMYYBRPHBCYQB-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.48
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide

1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide (PubChem CID 142502558) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
PubChem CID142502558
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)C3(C)C)o1
InChIInChI=1S/C24H23FN2O3/c1-15-4-10-19(30-15)13-26-22(28)17-7-11-20-21(12-17)27(23(29)24(20,2)3)14-16-5-8-18(25)9-6-16/h4-12H,13-14H2,1-3H3,(H,26,28)
InChIKeyAPMYYBRPHBCYQB-UHFFFAOYSA-N
XLogP4.48
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-azidophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592702
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 142502609
1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502572
N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592747
N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 137367502
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 146592690
1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 137367709
N-[(5-fluoro-1-benzofuran-2-yl)methyl]-1-[[4-fluoro-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592766
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592698
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide (CID 142502558) is 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)C3(C)C)o1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide?
The InChIKey is APMYYBRPHBCYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-15-4-10-19(30-15)13-26-22(28)17-7-11-20-21(12-17)27(23(29)24(20,2)3)14-16-5-8-18(25)9-6-16/h4-12H,13-14H2,1-3H3,(H,26,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide?
1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide is sourced from PubChem (CID 142502558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).