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

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Related Compounds

N-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 124847797
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 119048382
N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 124734504
2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
CID 129402092
6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 102557214
2-(3,4-difluorophenyl)-N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 124852787
3-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066411
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 139001968
N-(4-hydroxycyclohexyl)-6-methyl-1H-indole-2-carboxamide
CID 110885323
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 126778112
(3S)-1-[(4-fluorophenyl)methyl]-3-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one
CID 129487277

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).