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

C23H23FN4O3 — CID 39312085

IUPACN-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2ccccc21
InChIInChI=1S/C23H23FN4O3/c1-27-14-19(18-4-2-3-5-20(18)27)23(31)26-11-10-25-22(30)15-12-21(29)28(13-15)17-8-6-16(24)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,25,30)(H,26,31)/t15-/m1/s1
InChIKeyIKDJFRBXYAJVBP-OAHLLOKOSA-N
MW422.46 g/mol
LogP2.22
Rot. Bonds6

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

N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide (PubChem CID 39312085) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
PubChem CID39312085
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC NameN-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2ccccc21
InChIInChI=1S/C23H23FN4O3/c1-27-14-19(18-4-2-3-5-20(18)27)23(31)26-11-10-25-22(30)15-12-21(29)28(13-15)17-8-6-16(24)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,25,30)(H,26,31)/t15-/m1/s1
InChIKeyIKDJFRBXYAJVBP-OAHLLOKOSA-N
XLogP2.22
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
CID 39349849
N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide
CID 29140807
(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1-methylindole-3-carbohydrazide
CID 55408620
1-[4-[[(1-methylindole-3-carbonyl)amino]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 55614780
(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
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide
CID 42651225
1-(4-fluorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122326857

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide (CID 39312085) is N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2ccccc21.
What is the InChIKey of N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide?
The InChIKey is IKDJFRBXYAJVBP-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-27-14-19(18-4-2-3-5-20(18)27)23(31)26-11-10-25-22(30)15-12-21(29)28(13-15)17-8-6-16(24)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,25,30)(H,26,31)/t15-/m1/s1.
What are the key properties of N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide?
N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 39312085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).