N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide

C18H16F2N2O2 — CID 98469126

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESC[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O2/c1-10(12-7-6-11(19)8-15(12)20)21-17(23)9-14-13-4-2-3-5-16(13)22-18(14)24/h2-8,10,14H,9H2,1H3,(H,21,23)(H,22,24)/t10-,14-/m0/s1
InChIKeyMTOOZQKNATUVGR-HZMBPMFUSA-N
MW330.33 g/mol
LogP3.27
Rot. Bonds4

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide (PubChem CID 98469126) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
PubChem CID98469126
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESC[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O2/c1-10(12-7-6-11(19)8-15(12)20)21-17(23)9-14-13-4-2-3-5-16(13)22-18(14)24/h2-8,10,14H,9H2,1H3,(H,21,23)(H,22,24)/t10-,14-/m0/s1
InChIKeyMTOOZQKNATUVGR-HZMBPMFUSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9231906
N-(4-fluoro-2-methylphenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 86867543
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
N-[(4-fluorophenyl)methyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694604
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497142
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide
CID 177350146
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide
CID 177350154
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide (CID 98469126) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide is C[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The InChIKey is MTOOZQKNATUVGR-HZMBPMFUSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-10(12-7-6-11(19)8-15(12)20)21-17(23)9-14-13-4-2-3-5-16(13)22-18(14)24/h2-8,10,14H,9H2,1H3,(H,21,23)(H,22,24)/t10-,14-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 330.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 98469126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).