N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide

C19H18BrFN2O3 — CID 169408205

IUPACN-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCOC[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21)c1cccc(Br)c1
InChIInChI=1S/C19H18BrFN2O3/c1-26-10-17(11-3-2-4-12(20)7-11)22-18(24)9-15-14-8-13(21)5-6-16(14)23-19(15)25/h2-8,15,17H,9-10H2,1H3,(H,22,24)(H,23,25)/t15-,17-/m0/s1
InChIKeyHRBNXNLHEPAYDR-RDJZCZTQSA-N
MW421.27 g/mol
LogP3.52
Rot. Bonds6

About N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide

N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide (PubChem CID 169408205) has the molecular formula C19H18BrFN2O3 and a molecular weight of 421.27 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide
PubChem CID169408205
Molecular FormulaC19H18BrFN2O3
Molecular Weight421.27 g/mol
Exact Mass420.05
IUPAC NameN-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCOC[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21)c1cccc(Br)c1
InChIInChI=1S/C19H18BrFN2O3/c1-26-10-17(11-3-2-4-12(20)7-11)22-18(24)9-15-14-8-13(21)5-6-16(14)23-19(15)25/h2-8,15,17H,9-10H2,1H3,(H,22,24)(H,23,25)/t15-,17-/m0/s1
InChIKeyHRBNXNLHEPAYDR-RDJZCZTQSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.27
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide (CID 169408205) is N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide is COC[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The InChIKey is HRBNXNLHEPAYDR-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H18BrFN2O3/c1-26-10-17(11-3-2-4-12(20)7-11)22-18(24)9-15-14-8-13(21)5-6-16(14)23-19(15)25/h2-8,15,17H,9-10H2,1H3,(H,22,24)(H,23,25)/t15-,17-/m0/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide?
N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 421.27 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 169408205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).