N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide

C17H17BrFN3O2 — CID 171704756

IUPACN-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(Oc2cccc(F)n2)C1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H17BrFN3O2/c18-12-4-6-13(7-5-12)20-16(23)11-22-9-8-14(10-22)24-17-3-1-2-15(19)21-17/h1-7,14H,8-11H2,(H,20,23)
InChIKeyYFPVVVOLAMNNQQ-UHFFFAOYSA-N
MW394.24 g/mol
LogP3.08
Rot. Bonds5

About N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide

N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide (PubChem CID 171704756) has the molecular formula C17H17BrFN3O2 and a molecular weight of 394.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
PubChem CID171704756
Molecular FormulaC17H17BrFN3O2
Molecular Weight394.24 g/mol
Exact Mass393.05
IUPAC NameN-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(Oc2cccc(F)n2)C1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H17BrFN3O2/c18-12-4-6-13(7-5-12)20-16(23)11-22-9-8-14(10-22)24-17-3-1-2-15(19)21-17/h1-7,14H,8-11H2,(H,20,23)
InChIKeyYFPVVVOLAMNNQQ-UHFFFAOYSA-N
XLogP3.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171705156
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine
CID 172904789
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine
CID 172904927
N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
CID 163350759
N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55169623
2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 81459153
1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 178201856
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
2-fluoro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 172892893

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide (CID 171704756) is N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide is O=C(CN1CCC(Oc2cccc(F)n2)C1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide?
The InChIKey is YFPVVVOLAMNNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O2/c18-12-4-6-13(7-5-12)20-16(23)11-22-9-8-14(10-22)24-17-3-1-2-15(19)21-17/h1-7,14H,8-11H2,(H,20,23).
What are the key properties of N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide?
N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide has a molecular weight of 394.24 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 171704756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).