N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

C23H24FN3O3 — CID 97061739

IUPACN-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN1C(=O)C[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O3/c1-27-21(29)12-19(22(27)15-7-9-18(24)10-8-15)26-20(28)13-25-23(30)17-6-5-14-3-2-4-16(14)11-17/h5-11,19,22H,2-4,12-13H2,1H3,(H,25,30)(H,26,28)/t19-,22+/m1/s1
InChIKeyNBAQAHABYRRPJM-KNQAVFIVSA-N
MW409.46 g/mol
LogP2.13
Rot. Bonds5

About N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 97061739) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID97061739
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN1C(=O)C[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O3/c1-27-21(29)12-19(22(27)15-7-9-18(24)10-8-15)26-20(28)13-25-23(30)17-6-5-14-3-2-4-16(14)11-17/h5-11,19,22H,2-4,12-13H2,1H3,(H,25,30)(H,26,28)/t19-,22+/m1/s1
InChIKeyNBAQAHABYRRPJM-KNQAVFIVSA-N
XLogP2.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 97061738
1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 97244438
N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 97244437
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
N-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 75390098
N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 97244416
N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97244430
N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97244433
tert-butyl 4-[3-[[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-3-oxopropyl]piperazine-1-carboxylate
CID 100617760
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 97061739) is N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is CN1C(=O)C[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is NBAQAHABYRRPJM-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-27-21(29)12-19(22(27)15-7-9-18(24)10-8-15)26-20(28)13-25-23(30)17-6-5-14-3-2-4-16(14)11-17/h5-11,19,22H,2-4,12-13H2,1H3,(H,25,30)(H,26,28)/t19-,22+/m1/s1.
What are the key properties of N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 97061739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).