2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide

C22H21F2N3O3 — CID 175235317

IUPAC2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide
SMILESO=C(COc1ccc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(F)c1)NO
InChIInChI=1S/C22H21F2N3O3/c23-16-2-4-18-19(11-25-21(18)9-16)14-5-7-27(8-6-14)12-15-1-3-17(10-20(15)24)30-13-22(28)26-29/h1-5,9-11,25,29H,6-8,12-13H2,(H,26,28)
InChIKeyBOYXQYKXEXVDAC-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.62
Rot. Bonds6

About 2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide

2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide (PubChem CID 175235317) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is 2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide
PubChem CID175235317
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC Name2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide
SMILESO=C(COc1ccc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(F)c1)NO
InChIInChI=1S/C22H21F2N3O3/c23-16-2-4-18-19(11-25-21(18)9-16)14-5-7-27(8-6-14)12-15-1-3-17(10-20(15)24)30-13-22(28)26-29/h1-5,9-11,25,29H,6-8,12-13H2,(H,26,28)
InChIKeyBOYXQYKXEXVDAC-UHFFFAOYSA-N
XLogP3.62
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 55727952
methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 112841616
2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 56813191
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide
CID 60516358
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
2-(4-chlorophenyl)sulfanyl-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 55733477
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-phenylbutan-1-one
CID 60516306
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 18323653
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 75452399
[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol
CID 139005457

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide?
The IUPAC name of 2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide (CID 175235317) is 2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide.
What is the SMILES notation for 2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide?
The canonical SMILES for 2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide is O=C(COc1ccc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(F)c1)NO.
What is the InChIKey of 2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide?
The InChIKey is BOYXQYKXEXVDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c23-16-2-4-18-19(11-25-21(18)9-16)14-5-7-27(8-6-14)12-15-1-3-17(10-20(15)24)30-13-22(28)26-29/h1-5,9-11,25,29H,6-8,12-13H2,(H,26,28).
What are the key properties of 2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide?
2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide has a molecular weight of 413.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide is sourced from PubChem (CID 175235317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).