2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C19H16F3N3O2 — CID 1448435

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCn1nc(CC(=O)NCc2ccc(C(F)(F)F)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H16F3N3O2/c1-25-18(27)15-5-3-2-4-14(15)16(24-25)10-17(26)23-11-12-6-8-13(9-7-12)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)
InChIKeyCYYHRZYGVORWBV-UHFFFAOYSA-N
MW375.35 g/mol
LogP2.81
Rot. Bonds4

About 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 1448435) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID1448435
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCn1nc(CC(=O)NCc2ccc(C(F)(F)F)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H16F3N3O2/c1-25-18(27)15-5-3-2-4-14(15)16(24-25)10-17(26)23-11-12-6-8-13(9-7-12)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)
InChIKeyCYYHRZYGVORWBV-UHFFFAOYSA-N
XLogP2.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

KU-0058948
CID 11291932
4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one
CID 11726399
4-({4-Fluoro-3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133631
4-({4-Fluoro-3-[(4-propanoylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133976
Talastine
CID 65624
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
4-({3-[(4-Acetyl-1,4-diazepan-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25132610
4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
4-({3-[(4-Ethylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133632
4-({4-Fluoro-3-[(4-propylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133633
4-(3-(4-Acetylpiperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one
CID 25133975
4-{4-[4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]butyl}-1,2-dihydrophthalazin-1-one
CID 25218517

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 1448435) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is Cn1nc(CC(=O)NCc2ccc(C(F)(F)F)cc2)c2ccccc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is CYYHRZYGVORWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-25-18(27)15-5-3-2-4-14(15)16(24-25)10-17(26)23-11-12-6-8-13(9-7-12)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 375.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 1448435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).