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

C18H16F2N4O2 — CID 38227876

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)CCn1nnc2ccccc2c1=O
InChIInChI=1S/C18H16F2N4O2/c1-23(11-12-6-7-13(19)10-15(12)20)17(25)8-9-24-18(26)14-4-2-3-5-16(14)21-22-24/h2-7,10H,8-9,11H2,1H3
InChIKeyLAHIOSWTPLOLRF-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.12
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 38227876) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID38227876
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)CCn1nnc2ccccc2c1=O
InChIInChI=1S/C18H16F2N4O2/c1-23(11-12-6-7-13(19)10-15(12)20)17(25)8-9-24-18(26)14-4-2-3-5-16(14)21-22-24/h2-7,10H,8-9,11H2,1H3
InChIKeyLAHIOSWTPLOLRF-UHFFFAOYSA-N
XLogP2.12
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 51328770
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CID 39442300
N-cyclohexyl-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34248936
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CID 137278099
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 60579590
N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 55537248
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132
N-(2-chloro-4-fluorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34803882
N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 56805820
N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride
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N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 38227876) is N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is CN(Cc1ccc(F)cc1F)C(=O)CCn1nnc2ccccc2c1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is LAHIOSWTPLOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-23(11-12-6-7-13(19)10-15(12)20)17(25)8-9-24-18(26)14-4-2-3-5-16(14)21-22-24/h2-7,10H,8-9,11H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 358.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 38227876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).