N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide

C17H13F2N5O3 — CID 26663224

IUPACN-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2N5O3/c18-12-6-5-10(7-13(12)19)21-15(25)8-20-16(26)9-24-17(27)11-3-1-2-4-14(11)22-23-24/h1-7H,8-9H2,(H,20,26)(H,21,25)
InChIKeyPFNQCNMZCGGKDX-UHFFFAOYSA-N
MW373.32 g/mol
LogP0.82
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide (PubChem CID 26663224) has the molecular formula C17H13F2N5O3 and a molecular weight of 373.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide
PubChem CID26663224
Molecular FormulaC17H13F2N5O3
Molecular Weight373.32 g/mol
Exact Mass373.10
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2N5O3/c18-12-6-5-10(7-13(12)19)21-15(25)8-20-16(26)9-24-17(27)11-3-1-2-4-14(11)22-23-24/h1-7H,8-9H2,(H,20,26)(H,21,25)
InChIKeyPFNQCNMZCGGKDX-UHFFFAOYSA-N
XLogP0.82
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide with MolForge

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Related Compounds

N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-(3,4-difluorophenyl)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetamide
CID 46606184
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7529267
N-(3,4-difluorophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4903518
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide (CID 26663224) is N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide is O=C(Cn1nnc2ccccc2c1=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide?
The InChIKey is PFNQCNMZCGGKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O3/c18-12-6-5-10(7-13(12)19)21-15(25)8-20-16(26)9-24-17(27)11-3-1-2-4-14(11)22-23-24/h1-7H,8-9H2,(H,20,26)(H,21,25).
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide has a molecular weight of 373.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide is sourced from PubChem (CID 26663224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).