2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

C17H13F3N4O2 — CID 4905448

IUPAC2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)F)c1)n1nnc2ccccc2c1=O
InChIInChI=1S/C17H13F3N4O2/c1-10(24-16(26)13-7-2-3-8-14(13)22-23-24)15(25)21-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3,(H,21,25)
InChIKeyXRWXOLVPBIUZRB-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.01
Rot. Bonds3

About 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 4905448) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID4905448
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)F)c1)n1nnc2ccccc2c1=O
InChIInChI=1S/C17H13F3N4O2/c1-10(24-16(26)13-7-2-3-8-14(13)22-23-24)15(25)21-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3,(H,21,25)
InChIKeyXRWXOLVPBIUZRB-UHFFFAOYSA-N
XLogP3.01
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4912205
N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4899863
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 7553409
(2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 95395002
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903059
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 95395482
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916
3-(3-oxobutan-2-yl)-1,2,3-benzotriazin-4-one
CID 170011258
(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 97266945
(2S)-N-(3-chlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 7596226
3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 55447993
3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide
CID 4911365

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 4905448) is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1cccc(C(F)(F)F)c1)n1nnc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XRWXOLVPBIUZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-10(24-16(26)13-7-2-3-8-14(13)22-23-24)15(25)21-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3,(H,21,25).
What are the key properties of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 362.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 4905448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).