5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide

C23H21FN2O2 — CID 143602105

IUPAC5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC(c1ccccc1)[C@H](O)c1ccccc1)c1cc2c([nH]1)C=CC(F)C2
InChIInChI=1S/C23H21FN2O2/c24-18-11-12-19-17(13-18)14-20(25-19)23(28)26-21(15-7-3-1-4-8-15)22(27)16-9-5-2-6-10-16/h1-12,14,18,21-22,25,27H,13H2,(H,26,28)/t18?,21?,22-/m1/s1
InChIKeyLJPUCNXFVBRBBS-FQUBMZHMSA-N
MW376.43 g/mol
LogP4.13
Rot. Bonds5

About 5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide

5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide (PubChem CID 143602105) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide
PubChem CID143602105
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC(c1ccccc1)[C@H](O)c1ccccc1)c1cc2c([nH]1)C=CC(F)C2
InChIInChI=1S/C23H21FN2O2/c24-18-11-12-19-17(13-18)14-20(25-19)23(28)26-21(15-7-3-1-4-8-15)22(27)16-9-5-2-6-10-16/h1-12,14,18,21-22,25,27H,13H2,(H,26,28)/t18?,21?,22-/m1/s1
InChIKeyLJPUCNXFVBRBBS-FQUBMZHMSA-N
XLogP4.13
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide (CID 143602105) is 5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide is O=C(NC(c1ccccc1)[C@H](O)c1ccccc1)c1cc2c([nH]1)C=CC(F)C2.
What is the InChIKey of 5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide?
The InChIKey is LJPUCNXFVBRBBS-FQUBMZHMSA-N. The full InChI is InChI=1S/C23H21FN2O2/c24-18-11-12-19-17(13-18)14-20(25-19)23(28)26-21(15-7-3-1-4-8-15)22(27)16-9-5-2-6-10-16/h1-12,14,18,21-22,25,27H,13H2,(H,26,28)/t18?,21?,22-/m1/s1.
What are the key properties of 5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide?
5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 143602105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).