N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide

C19H14F5N3O2 — CID 169279289

IUPACN-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCC(c1n[nH]c(=O)c2cc(F)c(F)cc12)N(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F5N3O2/c1-9(16-12-7-14(20)15(21)8-13(12)17(28)26-25-16)27(2)18(29)10-3-5-11(6-4-10)19(22,23)24/h3-9H,1-2H3,(H,26,28)
InChIKeyQNMDYFCIPKNODB-UHFFFAOYSA-N
MW411.33 g/mol
LogP4.05
Rot. Bonds3

About N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide

N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 169279289) has the molecular formula C19H14F5N3O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID169279289
Molecular FormulaC19H14F5N3O2
Molecular Weight411.33 g/mol
Exact Mass411.10
IUPAC NameN-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCC(c1n[nH]c(=O)c2cc(F)c(F)cc12)N(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F5N3O2/c1-9(16-12-7-14(20)15(21)8-13(12)17(28)26-25-16)27(2)18(29)10-3-5-11(6-4-10)19(22,23)24/h3-9H,1-2H3,(H,26,28)
InChIKeyQNMDYFCIPKNODB-UHFFFAOYSA-N
XLogP4.05
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methylbenzamide
CID 169279209
N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methylbenzamide
CID 169279197
4-(difluoromethyl)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-3,5-difluoro-N-methylbenzamide
CID 169279170
N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N,1-dimethylindole-5-carboxamide
CID 169279131
N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-8-fluoro-N-methylindolizine-2-carboxamide
CID 169279182
8-chloro-N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methylindolizine-2-carboxamide
CID 169278995
N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 169279207
N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 169278989
3-(3-cyano-4-fluorophenyl)-1-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-1-methylurea
CID 169279038
(2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 169279023
N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 126799440
N-[1-(6,7-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-3-fluoro-N-methyl-4-(trifluoromethyl)benzamide
CID 169058990

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide (CID 169279289) is N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide is CC(c1n[nH]c(=O)c2cc(F)c(F)cc12)N(C)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is QNMDYFCIPKNODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O2/c1-9(16-12-7-14(20)15(21)8-13(12)17(28)26-25-16)27(2)18(29)10-3-5-11(6-4-10)19(22,23)24/h3-9H,1-2H3,(H,26,28).
What are the key properties of N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide?
N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 411.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 169279289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).