2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide

C18H20F2N4O3 — CID 122697970

IUPAC2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide
SMILESCn1ccc(OCCOc2ccc3[nH]cc(CCNC(=O)C(F)F)c3c2)n1
InChIInChI=1S/C18H20F2N4O3/c1-24-7-5-16(23-24)27-9-8-26-13-2-3-15-14(10-13)12(11-22-15)4-6-21-18(25)17(19)20/h2-3,5,7,10-11,17,22H,4,6,8-9H2,1H3,(H,21,25)
InChIKeyOZFWUNRGUVXHKI-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.28
Rot. Bonds9

About 2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide

2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide (PubChem CID 122697970) has the molecular formula C18H20F2N4O3 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide
PubChem CID122697970
Molecular FormulaC18H20F2N4O3
Molecular Weight378.38 g/mol
Exact Mass378.15
IUPAC Name2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide
SMILESCn1ccc(OCCOc2ccc3[nH]cc(CCNC(=O)C(F)F)c3c2)n1
InChIInChI=1S/C18H20F2N4O3/c1-24-7-5-16(23-24)27-9-8-26-13-2-3-15-14(10-13)12(11-22-15)4-6-21-18(25)17(19)20/h2-3,5,7,10-11,17,22H,4,6,8-9H2,1H3,(H,21,25)
InChIKeyOZFWUNRGUVXHKI-UHFFFAOYSA-N
XLogP2.28
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 896
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CID 24825740
N-Acetyl-5-benzyloxytryptamine
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Efppea
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2,2,2-Trifluoro-N-[(1r,2s)-1-{[1-(4-Fluorophenyl)-1h-Indazol-5-Yl]oxy}-1-Phenylpropan-2-Yl]acetamide
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Azd-2906
CID 25013811
2,2,2-Trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 594980
5-Heat
CID 10849065
(2s)-N-[4-[1-Methyl-3-(1-Methylpyrazol-4-Yl)indol-5-Yl]oxyphenyl]pyrrolidine-2-Carboxamide
CID 91668557
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethoxy}-1H-indol-3-yl)-ethylamine
CID 10809674
2-(5-{6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-hexyloxy}-1H-indol-3-yl)-ethylamine
CID 10836606
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-ethyl}-acetamide
CID 11797158

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide (CID 122697970) is 2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide is Cn1ccc(OCCOc2ccc3[nH]cc(CCNC(=O)C(F)F)c3c2)n1.
What is the InChIKey of 2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is OZFWUNRGUVXHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3/c1-24-7-5-16(23-24)27-9-8-26-13-2-3-15-14(10-13)12(11-22-15)4-6-21-18(25)17(19)20/h2-3,5,7,10-11,17,22H,4,6,8-9H2,1H3,(H,21,25).
What are the key properties of 2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 378.38 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-[5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 122697970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).