2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide

C22H19FN2O2 — CID 99818724

IUPAC2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide
SMILESO=C(C[C@@H]1OCCc2ccccc21)Nc1cnccc1-c1cccc(F)c1
InChIInChI=1S/C22H19FN2O2/c23-17-6-3-5-16(12-17)18-8-10-24-14-20(18)25-22(26)13-21-19-7-2-1-4-15(19)9-11-27-21/h1-8,10,12,14,21H,9,11,13H2,(H,25,26)/t21-/m0/s1
InChIKeyJRJMKZGZVRCTFA-NRFANRHFSA-N
MW362.40 g/mol
LogP4.53
Rot. Bonds4

About 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide

2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide (PubChem CID 99818724) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide
PubChem CID99818724
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide
SMILESO=C(C[C@@H]1OCCc2ccccc21)Nc1cnccc1-c1cccc(F)c1
InChIInChI=1S/C22H19FN2O2/c23-17-6-3-5-16(12-17)18-8-10-24-14-20(18)25-22(26)13-21-19-7-2-1-4-15(19)9-11-27-21/h1-8,10,12,14,21H,9,11,13H2,(H,25,26)/t21-/m0/s1
InChIKeyJRJMKZGZVRCTFA-NRFANRHFSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide (CID 99818724) is 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide is O=C(C[C@@H]1OCCc2ccccc21)Nc1cnccc1-c1cccc(F)c1.
What is the InChIKey of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide?
The InChIKey is JRJMKZGZVRCTFA-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-17-6-3-5-16(12-17)18-8-10-24-14-20(18)25-22(26)13-21-19-7-2-1-4-15(19)9-11-27-21/h1-8,10,12,14,21H,9,11,13H2,(H,25,26)/t21-/m0/s1.
What are the key properties of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide?
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide has a molecular weight of 362.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[4-(3-fluorophenyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 99818724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).