N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

C21H20FN3O3 — CID 20877026

IUPACN-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCc3ccccc3F)c(N3CCCC3=O)c2c1
InChIInChI=1S/C21H20FN3O3/c1-28-14-8-9-17-15(11-14)20(25-10-4-7-18(25)26)19(24-17)21(27)23-12-13-5-2-3-6-16(13)22/h2-3,5-6,8-9,11,24H,4,7,10,12H2,1H3,(H,23,27)
InChIKeyJNCNWROQSFFWNY-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.37
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide (PubChem CID 20877026) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide
PubChem CID20877026
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCc3ccccc3F)c(N3CCCC3=O)c2c1
InChIInChI=1S/C21H20FN3O3/c1-28-14-8-9-17-15(11-14)20(25-10-4-7-18(25)26)19(24-17)21(27)23-12-13-5-2-3-6-16(13)22/h2-3,5-6,8-9,11,24H,4,7,10,12H2,1H3,(H,23,27)
InChIKeyJNCNWROQSFFWNY-UHFFFAOYSA-N
XLogP3.37
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide
CID 46259445
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4971080
1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one
CID 28925113
N-[(2,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915884
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331295
1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915976
N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915816
N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide
CID 78890740
N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
CID 110384380
6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205279

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide (CID 20877026) is N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCc3ccccc3F)c(N3CCCC3=O)c2c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide?
The InChIKey is JNCNWROQSFFWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-28-14-8-9-17-15(11-14)20(25-10-4-7-18(25)26)19(24-17)21(27)23-12-13-5-2-3-6-16(13)22/h2-3,5-6,8-9,11,24H,4,7,10,12H2,1H3,(H,23,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 20877026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).