N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide

C17H15ClFN3O2 — CID 171518098

IUPACN-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2cc(Cl)c(OCc3cccc(F)n3)cc2[nH]1
InChIInChI=1S/C17H15ClFN3O2/c1-10(23)20-8-13-5-11-6-14(18)16(7-15(11)21-13)24-9-12-3-2-4-17(19)22-12/h2-7,21H,8-9H2,1H3,(H,20,23)
InChIKeyDNQPUPQXAYIKSR-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.57
Rot. Bonds5

About N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide

N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide (PubChem CID 171518098) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide
PubChem CID171518098
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC NameN-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2cc(Cl)c(OCc3cccc(F)n3)cc2[nH]1
InChIInChI=1S/C17H15ClFN3O2/c1-10(23)20-8-13-5-11-6-14(18)16(7-15(11)21-13)24-9-12-3-2-4-17(19)22-12/h2-7,21H,8-9H2,1H3,(H,20,23)
InChIKeyDNQPUPQXAYIKSR-UHFFFAOYSA-N
XLogP3.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide
CID 71230421
(2-Chlorophenyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 49833232
6-Chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbaldehyde
CID 143312524
1-[6-Chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 143535882
2-Fluoroethyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 171350681
US20250114338, Example 239
CID 121410665
US20250114338, Example 244
CID 121411007
US20250114338, Example 266
CID 121411069
(1R)-6-chloro-N-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92706549
(2S)-1-(3-Chloro-9H-carbazol-4-yloxy)-3-{[1-(3,3,3-trifluoro-propyl)-piperidin-4-ylmethyl]-amino}-propan-2-ol
CID 10116894
2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 22263952
2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 25125316

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide (CID 171518098) is N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide is CC(=O)NCc1cc2cc(Cl)c(OCc3cccc(F)n3)cc2[nH]1.
What is the InChIKey of N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide?
The InChIKey is DNQPUPQXAYIKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-10(23)20-8-13-5-11-6-14(18)16(7-15(11)21-13)24-9-12-3-2-4-17(19)22-12/h2-7,21H,8-9H2,1H3,(H,20,23).
What are the key properties of N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide?
N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide has a molecular weight of 347.78 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide is sourced from PubChem (CID 171518098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).