2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide

C16H17F3N4O2 — CID 162631038

IUPAC2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1n[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)10-5-6-11-12(8-10)21-22-15(11)20-13(24)9-23-7-3-1-2-4-14(23)25/h5-6,8H,1-4,7,9H2,(H2,20,21,22,24)
InChIKeyMLUAGXUZBAODRG-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.92
Rot. Bonds3

About 2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide

2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide (PubChem CID 162631038) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide
PubChem CID162631038
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1n[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)10-5-6-11-12(8-10)21-22-15(11)20-13(24)9-23-7-3-1-2-4-14(23)25/h5-6,8H,1-4,7,9H2,(H2,20,21,22,24)
InChIKeyMLUAGXUZBAODRG-UHFFFAOYSA-N
XLogP2.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 112689248
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-oxoazocan-1-yl)acetamide
CID 120605649
N-(3-hydroxy-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47051578
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78869515
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide
CID 55756900
N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
CID 162634789
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide (CID 162631038) is 2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide is O=C(CN1CCCCCC1=O)Nc1n[nH]c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide?
The InChIKey is MLUAGXUZBAODRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)10-5-6-11-12(8-10)21-22-15(11)20-13(24)9-23-7-3-1-2-4-14(23)25/h5-6,8H,1-4,7,9H2,(H2,20,21,22,24).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide?
2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide has a molecular weight of 354.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 162631038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).