N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide

C17H17F3N4O2 — CID 146643886

IUPACN-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCCc1ccc2c(c1CNC(=O)c1ccc(OC(F)(F)F)cc1)NNN2
InChIInChI=1S/C17H17F3N4O2/c1-2-10-5-8-14-15(23-24-22-14)13(10)9-21-16(25)11-3-6-12(7-4-11)26-17(18,19)20/h3-8,22-24H,2,9H2,1H3,(H,21,25)
InChIKeyOQZPZQSGLZFLIU-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.33
Rot. Bonds5

About N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide

N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 146643886) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID146643886
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCCc1ccc2c(c1CNC(=O)c1ccc(OC(F)(F)F)cc1)NNN2
InChIInChI=1S/C17H17F3N4O2/c1-2-10-5-8-14-15(23-24-22-14)13(10)9-21-16(25)11-3-6-12(7-4-11)26-17(18,19)20/h3-8,22-24H,2,9H2,1H3,(H,21,25)
InChIKeyOQZPZQSGLZFLIU-UHFFFAOYSA-N
XLogP3.33
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453512
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide
CID 146643476
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide
CID 95986148
4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575991
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103602335
N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 115598108
6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 146193236
N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 68637610

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide (CID 146643886) is N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide is CCc1ccc2c(c1CNC(=O)c1ccc(OC(F)(F)F)cc1)NNN2.
What is the InChIKey of N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is OQZPZQSGLZFLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-2-10-5-8-14-15(23-24-22-14)13(10)9-21-16(25)11-3-6-12(7-4-11)26-17(18,19)20/h3-8,22-24H,2,9H2,1H3,(H,21,25).
What are the key properties of N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 366.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 146643886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).