N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide

C20H22FN3O3 — CID 166315651

IUPACN-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCN(C)c1cccc([C@H](CO)NC(=O)CC2C(=O)Nc3c(F)cccc32)c1
InChIInChI=1S/C20H22FN3O3/c1-24(2)13-6-3-5-12(9-13)17(11-25)22-18(26)10-15-14-7-4-8-16(21)19(14)23-20(15)27/h3-9,15,17,25H,10-11H2,1-2H3,(H,22,26)(H,23,27)/t15?,17-/m0/s1
InChIKeyNJBYIPPHKNFTHC-LWKPJOBUSA-N
MW371.41 g/mol
LogP2.17
Rot. Bonds6

About N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide

N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 166315651) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID166315651
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCN(C)c1cccc([C@H](CO)NC(=O)CC2C(=O)Nc3c(F)cccc32)c1
InChIInChI=1S/C20H22FN3O3/c1-24(2)13-6-3-5-12(9-13)17(11-25)22-18(26)10-15-14-7-4-8-16(21)19(14)23-20(15)27/h3-9,15,17,25H,10-11H2,1-2H3,(H,22,26)(H,23,27)/t15?,17-/m0/s1
InChIKeyNJBYIPPHKNFTHC-LWKPJOBUSA-N
XLogP2.17
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 97340412
(2R)-2-[3-(dimethylamino)phenyl]-2-[(8-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methylamino]ethanol
CID 166313075
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98469126
N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 155956165
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 139019972
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105117377
2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
CID 166790111
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152827
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 166315651) is N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide is CN(C)c1cccc([C@H](CO)NC(=O)CC2C(=O)Nc3c(F)cccc32)c1.
What is the InChIKey of N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is NJBYIPPHKNFTHC-LWKPJOBUSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-24(2)13-6-3-5-12(9-13)17(11-25)22-18(26)10-15-14-7-4-8-16(21)19(14)23-20(15)27/h3-9,15,17,25H,10-11H2,1-2H3,(H,22,26)(H,23,27)/t15?,17-/m0/s1.
What are the key properties of N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 371.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 166315651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).