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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Related Compounds

(3R,3'S)-N-cyclopropyl-5,6-difluoro-N-(isoquinolin-1-ylmethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide
CID 57396097
N-3-pyridinyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 2968236
2-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 72012781
2-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 72113617
N-{4-[(3-pyridinylamino)carbonyl]phenyl}-3,4-dihydro-1H-isochromene-1-carboxamide
CID 6460189
benzyl N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]carbamate
CID 25392424
2-benzhydryloxy-N-pyridin-3-ylacetamide
CID 40132405
[4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone
CID 164635489
N-(cyclopropylmethyl)-2-[(3R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl]acetamide
CID 164638151
[1-[4-Fluoro-2-(pyridine-4-carbonylamino)phenyl]piperidin-4-yl] benzoate
CID 25186966
N-(7-ethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59138742
(2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one
CID 67208164

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).