N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C17H18F3N3O2 — CID 18775243

IUPACN-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H18F3N3O2/c1-10(11-6-7-11)23(9-17(18,19)20)15(24)8-14-12-4-2-3-5-13(12)16(25)22-21-14/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyWIEPCUMTDIKNLK-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.65
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 18775243) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID18775243
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H18F3N3O2/c1-10(11-6-7-11)23(9-17(18,19)20)15(24)8-14-12-4-2-3-5-13(12)16(25)22-21-14/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyWIEPCUMTDIKNLK-UHFFFAOYSA-N
XLogP2.65
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775458
N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17452042
[2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507948
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17401113
N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
CID 71900831
N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide
CID 166201044
N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629066
N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 31938450
N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166214999
3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948883

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 18775243) is N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C1CC1)N(CC(F)(F)F)C(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WIEPCUMTDIKNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10(11-6-7-11)23(9-17(18,19)20)15(24)8-14-12-4-2-3-5-13(12)16(25)22-21-14/h2-5,10-11H,6-9H2,1H3,(H,22,25).
What are the key properties of N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 353.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 18775243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).