N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide

C23H19F2N3O2 — CID 118935184

IUPACN-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)[C@H](c1ccccn1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(F)cc(F)cc21
InChIInChI=1S/C23H19F2N3O2/c24-15-12-17-16(18(25)13-15)9-10-20(17)28(23(30)14-6-2-1-3-7-14)21(22(26)29)19-8-4-5-11-27-19/h1-8,11-13,20-21H,9-10H2,(H2,26,29)/t20-,21+/m1/s1
InChIKeyGGRHEOXHAMONGH-RTWAWAEBSA-N
MW407.42 g/mol
LogP3.72
Rot. Bonds5

About N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide

N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 118935184) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID118935184
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC NameN-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)[C@H](c1ccccn1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(F)cc(F)cc21
InChIInChI=1S/C23H19F2N3O2/c24-15-12-17-16(18(25)13-15)9-10-20(17)28(23(30)14-6-2-1-3-7-14)21(22(26)29)19-8-4-5-11-27-19/h1-8,11-13,20-21H,9-10H2,(H2,26,29)/t20-,21+/m1/s1
InChIKeyGGRHEOXHAMONGH-RTWAWAEBSA-N
XLogP3.72
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide (CID 118935184) is N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)[C@H](c1ccccn1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(F)cc(F)cc21.
What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is GGRHEOXHAMONGH-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c24-15-12-17-16(18(25)13-15)9-10-20(17)28(23(30)14-6-2-1-3-7-14)21(22(26)29)19-8-4-5-11-27-19/h1-8,11-13,20-21H,9-10H2,(H2,26,29)/t20-,21+/m1/s1.
What are the key properties of N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 407.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 118935184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).