3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide

C22H20F3N3O3 — CID 153042625

IUPAC3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide
SMILESO=C(CCc1c(-c2cccc(F)c2)[nH]c2c(F)cc(F)cc12)NC[C@@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C22H20F3N3O3/c23-12-3-1-2-11(6-12)20-14(15-7-13(24)8-17(25)21(15)28-20)4-5-19(30)26-9-16-18(29)10-27-22(16)31/h1-3,6-8,16,18,28-29H,4-5,9-10H2,(H,26,30)(H,27,31)/t16-,18+/m0/s1
InChIKeyVFZIUCPSNRBZCV-FUHWJXTLSA-N
MW431.41 g/mol
LogP2.41
Rot. Bonds6

About 3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide

3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide (PubChem CID 153042625) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide
PubChem CID153042625
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide
SMILESO=C(CCc1c(-c2cccc(F)c2)[nH]c2c(F)cc(F)cc12)NC[C@@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C22H20F3N3O3/c23-12-3-1-2-11(6-12)20-14(15-7-13(24)8-17(25)21(15)28-20)4-5-19(30)26-9-16-18(29)10-27-22(16)31/h1-3,6-8,16,18,28-29H,4-5,9-10H2,(H,26,30)(H,27,31)/t16-,18+/m0/s1
InChIKeyVFZIUCPSNRBZCV-FUHWJXTLSA-N
XLogP2.41
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide (CID 153042625) is 3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide is O=C(CCc1c(-c2cccc(F)c2)[nH]c2c(F)cc(F)cc12)NC[C@@H]1C(=O)NC[C@H]1O.
What is the InChIKey of 3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide?
The InChIKey is VFZIUCPSNRBZCV-FUHWJXTLSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c23-12-3-1-2-11(6-12)20-14(15-7-13(24)8-17(25)21(15)28-20)4-5-19(30)26-9-16-18(29)10-27-22(16)31/h1-3,6-8,16,18,28-29H,4-5,9-10H2,(H,26,30)(H,27,31)/t16-,18+/m0/s1.
What are the key properties of 3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide?
3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide has a molecular weight of 431.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-N-[[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 153042625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).