N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide

C24H21FN2O2 — CID 118935130

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(F)cc21
InChIInChI=1S/C24H21FN2O2/c25-19-13-11-16-12-14-21(20(16)15-19)27(24(29)18-9-5-2-6-10-18)22(23(26)28)17-7-3-1-4-8-17/h1-11,13,15,21-22H,12,14H2,(H2,26,28)/t21-,22-/m1/s1
InChIKeyHXJLHYYAPUWUMX-FGZHOGPDSA-N
MW388.44 g/mol
LogP4.18
Rot. Bonds5

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 118935130) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID118935130
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(F)cc21
InChIInChI=1S/C24H21FN2O2/c25-19-13-11-16-12-14-21(20(16)15-19)27(24(29)18-9-5-2-6-10-18)22(23(26)28)17-7-3-1-4-8-17/h1-11,13,15,21-22H,12,14H2,(H2,26,28)/t21-,22-/m1/s1
InChIKeyHXJLHYYAPUWUMX-FGZHOGPDSA-N
XLogP4.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide (CID 118935130) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(F)cc21.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is HXJLHYYAPUWUMX-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H21FN2O2/c25-19-13-11-16-12-14-21(20(16)15-19)27(24(29)18-9-5-2-6-10-18)22(23(26)28)17-7-3-1-4-8-17/h1-11,13,15,21-22H,12,14H2,(H2,26,28)/t21-,22-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 388.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 118935130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).