N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide

C22H21FN4O3 — CID 29140807

IUPACN-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccc2[nH]ccc12
InChIInChI=1S/C22H21FN4O3/c23-15-4-6-16(7-5-15)27-13-14(12-20(27)28)21(29)25-10-11-26-22(30)18-2-1-3-19-17(18)8-9-24-19/h1-9,14,24H,10-13H2,(H,25,29)(H,26,30)/t14-/m1/s1
InChIKeyXCMLQCMMJSWRQH-CQSZACIVSA-N
MW408.43 g/mol
LogP2.21
Rot. Bonds6

About N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide

N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide (PubChem CID 29140807) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide
PubChem CID29140807
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccc2[nH]ccc12
InChIInChI=1S/C22H21FN4O3/c23-15-4-6-16(7-5-15)27-13-14(12-20(27)28)21(29)25-10-11-26-22(30)18-2-1-3-19-17(18)8-9-24-19/h1-9,14,24H,10-13H2,(H,25,29)(H,26,30)/t14-/m1/s1
InChIKeyXCMLQCMMJSWRQH-CQSZACIVSA-N
XLogP2.21
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide
CID 42651225
N-[2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide
CID 29136194
N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
CID 39312085
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
(3R)-N-[2-[(2-bromobenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29135405
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55974428
(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 93017466
N-[2-[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
CID 42651319
N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
CID 29131212
1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17310667
N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide
CID 29133184

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide (CID 29140807) is N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide is O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide?
The InChIKey is XCMLQCMMJSWRQH-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-15-4-6-16(7-5-15)27-13-14(12-20(27)28)21(29)25-10-11-26-22(30)18-2-1-3-19-17(18)8-9-24-19/h1-9,14,24H,10-13H2,(H,25,29)(H,26,30)/t14-/m1/s1.
What are the key properties of N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide?
N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 29140807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).