1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide

C23H21FN2O3 — CID 142502585

IUPAC1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2ccccc2F)c2cc(C(=O)NCc3ccco3)ccc21
InChIInChI=1S/C23H21FN2O3/c1-23(2)18-10-9-15(21(27)25-13-17-7-5-11-29-17)12-20(18)26(22(23)28)14-16-6-3-4-8-19(16)24/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyPTZRPIWYUPGMFW-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.17
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide

1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide (PubChem CID 142502585) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide
PubChem CID142502585
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2ccccc2F)c2cc(C(=O)NCc3ccco3)ccc21
InChIInChI=1S/C23H21FN2O3/c1-23(2)18-10-9-15(21(27)25-13-17-7-5-11-29-17)12-20(18)26(22(23)28)14-16-6-3-4-8-19(16)24/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyPTZRPIWYUPGMFW-UHFFFAOYSA-N
XLogP4.17
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 152426927
N-[3-(benzylcarbamoyl)phenyl]furan-2-carboxamide
CID 1331247
N-(3-{[methyl(phenyl)amino]carbonyl}phenyl)-2-furamide
CID 2985334
1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4794237
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 4875841
N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)furan-2-carboxamide
CID 7384469
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 16333232
3-fluoro-N-(2-(furan-2-yl)-2-(indolin-1-yl)ethyl)benzamide
CID 18577474
2-benzamido-N-(furan-2-ylmethyl)benzamide
CID 1848423
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3344175
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-furylmethyl)cyclohexanecarboxamide
CID 645163
N-[4-(dimethylamino)benzyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 16013214

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide (CID 142502585) is 1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide is CC1(C)C(=O)N(Cc2ccccc2F)c2cc(C(=O)NCc3ccco3)ccc21.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide?
The InChIKey is PTZRPIWYUPGMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-23(2)18-10-9-15(21(27)25-13-17-7-5-11-29-17)12-20(18)26(22(23)28)14-16-6-3-4-8-19(16)24/h3-12H,13-14H2,1-2H3,(H,25,27).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide is sourced from PubChem (CID 142502585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).