N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C21H18FN3O4 — CID 46277042

IUPACN-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCO3)c(N2CCCC2=O)c2cc(F)ccc21
InChIInChI=1S/C21H18FN3O4/c1-24-15-6-4-12(22)9-14(15)19(25-8-2-3-18(25)26)20(24)21(27)23-13-5-7-16-17(10-13)29-11-28-16/h4-7,9-10H,2-3,8,11H2,1H3,(H,23,27)
InChIKeyYSOTYQNFMDARRB-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.43
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 46277042) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID46277042
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCO3)c(N2CCCC2=O)c2cc(F)ccc21
InChIInChI=1S/C21H18FN3O4/c1-24-15-6-4-12(22)9-14(15)19(25-8-2-3-18(25)26)20(24)21(27)23-13-5-7-16-17(10-13)29-11-28-16/h4-7,9-10H,2-3,8,11H2,1H3,(H,23,27)
InChIKeyYSOTYQNFMDARRB-UHFFFAOYSA-N
XLogP3.43
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide
CID 46277037
N-(2,5-dimethoxyphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277032
N-(4-acetamidophenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277117
5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915810
N-(4-methoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915892
5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915765
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7686735
1-acetyl-N-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carboxamide
CID 113213026
1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915958
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042526
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404656
3-(1,3-benzodioxol-5-ylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 4155928

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 46277042) is N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is Cn1c(C(=O)Nc2ccc3c(c2)OCO3)c(N2CCCC2=O)c2cc(F)ccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The InChIKey is YSOTYQNFMDARRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c1-24-15-6-4-12(22)9-14(15)19(25-8-2-3-18(25)26)20(24)21(27)23-13-5-7-16-17(10-13)29-11-28-16/h4-7,9-10H,2-3,8,11H2,1H3,(H,23,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 46277042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).