1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide

C24H21FN2O2 — CID 71840648

IUPAC1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O2/c1-16(18-7-10-21(25)11-8-18)26-24(29)19-9-12-22-20(13-19)14-23(28)27(22)15-17-5-3-2-4-6-17/h2-13,16H,14-15H2,1H3,(H,26,29)
InChIKeyPYAMETJPVVDZRY-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.41
Rot. Bonds5

About 1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide

1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide (PubChem CID 71840648) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
PubChem CID71840648
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O2/c1-16(18-7-10-21(25)11-8-18)26-24(29)19-9-12-22-20(13-19)14-23(28)27(22)15-17-5-3-2-4-6-17/h2-13,16H,14-15H2,1H3,(H,26,29)
InChIKeyPYAMETJPVVDZRY-UHFFFAOYSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
CID 71840624
1-benzyl-2-oxo-N-propan-2-yl-3H-indole-5-carboxamide
CID 71840675
N,1-bis[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840635
1-benzyl-N-cyclopropyl-2-oxo-3H-indole-5-carboxamide
CID 53160635
1-benzyl-2-oxo-3H-indole-5-carboxamide
CID 122479775
N-[(3,5-difluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840611
2-benzyl-N-[1-(4-fluorophenyl)ethyl]-1-oxo-3-(5-oxohexyl)isoquinoline-6-carboxamide
CID 123589953
4-benzyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 142502397
1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 92538268
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53279578
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
CID 71840637
4-[(4-chlorophenyl)methyl]-3-oxo-N-(1-phenylethyl)-1,4-benzothiazine-6-carboxamide
CID 4160206

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide (CID 71840648) is 1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide?
The InChIKey is PYAMETJPVVDZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-16(18-7-10-21(25)11-8-18)26-24(29)19-9-12-22-20(13-19)14-23(28)27(22)15-17-5-3-2-4-6-17/h2-13,16H,14-15H2,1H3,(H,26,29).
What are the key properties of 1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide?
1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-indole-5-carboxamide is sourced from PubChem (CID 71840648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).