N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide

C22H24F2N2O5 — CID 171390029

IUPACN-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide
SMILESO=NN(C[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)C[C@@H](O)[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C22H24F2N2O5/c23-15-3-7-19-13(9-15)1-5-21(30-19)17(27)11-26(25-29)12-18(28)22-6-2-14-10-16(24)4-8-20(14)31-22/h3-4,7-10,17-18,21-22,27-28H,1-2,5-6,11-12H2/t17-,18-,21-,22+/m1/s1
InChIKeyTXDRIMZKXCWKRC-YHBROIRLSA-N
MW434.44 g/mol
LogP2.76
Rot. Bonds7

About N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide

N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide (PubChem CID 171390029) has the molecular formula C22H24F2N2O5 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide.

Molecular Properties

Compound NameN-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide
PubChem CID171390029
Molecular FormulaC22H24F2N2O5
Molecular Weight434.44 g/mol
Exact Mass434.17
IUPAC NameN-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide
SMILESO=NN(C[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)C[C@@H](O)[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C22H24F2N2O5/c23-15-3-7-19-13(9-15)1-5-21(30-19)17(27)11-26(25-29)12-18(28)22-6-2-14-10-16(24)4-8-20(14)31-22/h3-4,7-10,17-18,21-22,27-28H,1-2,5-6,11-12H2/t17-,18-,21-,22+/m1/s1
InChIKeyTXDRIMZKXCWKRC-YHBROIRLSA-N
XLogP2.76
TPSA91.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide?
The IUPAC name of N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide (CID 171390029) is N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide.
What is the SMILES notation for N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide?
The canonical SMILES for N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide is O=NN(C[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)C[C@@H](O)[C@H]1CCc2cc(F)ccc2O1.
What is the InChIKey of N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide?
The InChIKey is TXDRIMZKXCWKRC-YHBROIRLSA-N. The full InChI is InChI=1S/C22H24F2N2O5/c23-15-3-7-19-13(9-15)1-5-21(30-19)17(27)11-26(25-29)12-18(28)22-6-2-14-10-16(24)4-8-20(14)31-22/h3-4,7-10,17-18,21-22,27-28H,1-2,5-6,11-12H2/t17-,18-,21-,22+/m1/s1.
What are the key properties of N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide?
N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide has a molecular weight of 434.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide is sourced from PubChem (CID 171390029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).