N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide

C21H20FN3O2 — CID 124841975

IUPACN-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C21H20FN3O2/c1-13-2-5-15-11-19(23-18(15)10-13)20(26)24-17-8-9-25(21(17)27)12-14-3-6-16(22)7-4-14/h2-7,10-11,17,23H,8-9,12H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyBJIZVFVYKYMQDK-QGZVFWFLSA-N
MW365.41 g/mol
LogP3.15
Rot. Bonds4

About N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide

N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 124841975) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide
PubChem CID124841975
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C21H20FN3O2/c1-13-2-5-15-11-19(23-18(15)10-13)20(26)24-17-8-9-25(21(17)27)12-14-3-6-16(22)7-4-14/h2-7,10-11,17,23H,8-9,12H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyBJIZVFVYKYMQDK-QGZVFWFLSA-N
XLogP3.15
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide (CID 124841975) is N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)[nH]c2c1.
What is the InChIKey of N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is BJIZVFVYKYMQDK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-13-2-5-15-11-19(23-18(15)10-13)20(26)24-17-8-9-25(21(17)27)12-14-3-6-16(22)7-4-14/h2-7,10-11,17,23H,8-9,12H2,1H3,(H,24,26)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide?
N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 124841975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).