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

C17H15F3N4O2 — CID 137453512

IUPACN-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCCc1ccc2n[nH]nc2c1CNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O2/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/h3-8H,2,9H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyDKEGJVBTTSPHAM-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.35
Rot. Bonds5

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

N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 137453512) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID137453512
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC NameN-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCCc1ccc2n[nH]nc2c1CNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O2/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/h3-8H,2,9H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyDKEGJVBTTSPHAM-UHFFFAOYSA-N
XLogP3.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 146643886
3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 146590763
4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide
CID 137453588
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
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'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103602335
N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide
CID 146643476
N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 115598108
6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 146193236

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide (CID 137453512) is N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide is CCc1ccc2n[nH]nc2c1CNC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is DKEGJVBTTSPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/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/h3-8H,2,9H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 364.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 137453512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).