N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C17H15FN4O2 — CID 39430248

IUPACN-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)NCc1ccccc1F
InChIInChI=1S/C17H15FN4O2/c18-14-7-3-1-5-12(14)11-19-16(23)9-10-22-17(24)13-6-2-4-8-15(13)20-21-22/h1-8H,9-11H2,(H,19,23)
InChIKeyMWBFHFDAABDQIS-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.64
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 39430248) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID39430248
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)NCc1ccccc1F
InChIInChI=1S/C17H15FN4O2/c18-14-7-3-1-5-12(14)11-19-16(23)9-10-22-17(24)13-6-2-4-8-15(13)20-21-22/h1-8H,9-11H2,(H,19,23)
InChIKeyMWBFHFDAABDQIS-UHFFFAOYSA-N
XLogP1.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]ethyl]propanamide
CID 39436419
N-[2-(ethylamino)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide;hydrochloride
CID 119505285
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 39444643
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(3-phenoxyphenyl)methyl]propanamide
CID 39576535
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4901846
N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide
CID 39430911
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 86968568
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061354
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39437289
N-[1-(3,4-difluorophenyl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 46649392
N-(4-anilinophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 29265855
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 39430248) is N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is O=C(CCn1nnc2ccccc2c1=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is MWBFHFDAABDQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-14-7-3-1-5-12(14)11-19-16(23)9-10-22-17(24)13-6-2-4-8-15(13)20-21-22/h1-8H,9-11H2,(H,19,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 326.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 39430248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).