N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide

C19H15ClF3N3O3 — CID 166628099

IUPACN-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide
SMILESCCn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C19H15ClF3N3O3/c1-2-26-18(28)13-6-4-3-5-12(13)15(25-26)10-17(27)24-11-7-8-16(14(20)9-11)29-19(21,22)23/h3-9H,2,10H2,1H3,(H,24,27)
InChIKeyLZDULENBVZJPOB-UHFFFAOYSA-N
MW425.79 g/mol
LogP4.15
Rot. Bonds5

About N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide

N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 166628099) has the molecular formula C19H15ClF3N3O3 and a molecular weight of 425.79 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide
PubChem CID166628099
Molecular FormulaC19H15ClF3N3O3
Molecular Weight425.79 g/mol
Exact Mass425.08
IUPAC NameN-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide
SMILESCCn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C19H15ClF3N3O3/c1-2-26-18(28)13-6-4-3-5-12(13)15(25-26)10-17(27)24-11-7-8-16(14(20)9-11)29-19(21,22)23/h3-9H,2,10H2,1H3,(H,24,27)
InChIKeyLZDULENBVZJPOB-UHFFFAOYSA-N
XLogP4.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
N-(4-chloro-3-methoxy-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 71552169
4-((4-(Trifluoromethoxy)anilino)methyl)-1(2H)-phthalazinone
CID 1485947
3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)-N-(4-methoxyphenyl)propanamide
CID 1887235
3-[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2388047
N-butyl-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 4053667
2-{[3-(3-Chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-(2-methoxyethyl)acetamide
CID 9551209
2-{[3-(3-Chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-[(oxolan-2-YL)methyl]acetamide
CID 11957250
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydrophthalazine-1-carboxamide
CID 15999861
2-{[3-(3-Chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-(propan-2-YL)acetamide
CID 16001835
2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N,N-diethylacetamide
CID 16002109

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide (CID 166628099) is N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide is CCn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O.
What is the InChIKey of N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is LZDULENBVZJPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3/c1-2-26-18(28)13-6-4-3-5-12(13)15(25-26)10-17(27)24-11-7-8-16(14(20)9-11)29-19(21,22)23/h3-9H,2,10H2,1H3,(H,24,27).
What are the key properties of N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide?
N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 425.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 166628099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).