N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

C17H14F2N4O2 — CID 4907359

IUPACN-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(F)cc1F)n1nnc2ccccc2c1=O
InChIInChI=1S/C17H14F2N4O2/c1-2-15(16(24)20-14-8-7-10(18)9-12(14)19)23-17(25)11-5-3-4-6-13(11)21-22-23/h3-9,15H,2H2,1H3,(H,20,24)
InChIKeyOOGAHKIGRCCGQK-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.66
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (PubChem CID 4907359) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
PubChem CID4907359
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC NameN-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(F)cc1F)n1nnc2ccccc2c1=O
InChIInChI=1S/C17H14F2N4O2/c1-2-15(16(24)20-14-8-7-10(18)9-12(14)19)23-17(25)11-5-3-4-6-13(11)21-22-23/h3-9,15H,2H2,1H3,(H,20,24)
InChIKeyOOGAHKIGRCCGQK-UHFFFAOYSA-N
XLogP2.66
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7631288
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 4906707
(2S)-N-(2-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 7618525
(2S)-N-(3-chlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 7596226
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 55441244
1-(2-fluorophenyl)-3-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]urea
CID 92702102
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42714472
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,4-difluorophenyl)-1-ethylurea
CID 42715791
(2S)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 8727062
3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42721329

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (CID 4907359) is N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is CCC(C(=O)Nc1ccc(F)cc1F)n1nnc2ccccc2c1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The InChIKey is OOGAHKIGRCCGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-2-15(16(24)20-14-8-7-10(18)9-12(14)19)23-17(25)11-5-3-4-6-13(11)21-22-23/h3-9,15H,2H2,1H3,(H,20,24).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide has a molecular weight of 344.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is sourced from PubChem (CID 4907359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).