2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide

C26H23F2N3O3 — CID 175551215

IUPAC2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide
SMILESCC(C)(C(=O)N(CCO)c1ccccc1)c1nn(-c2ccc(F)cc2F)c(=O)c2ccccc12
InChIInChI=1S/C26H23F2N3O3/c1-26(2,25(34)30(14-15-32)18-8-4-3-5-9-18)23-19-10-6-7-11-20(19)24(33)31(29-23)22-13-12-17(27)16-21(22)28/h3-13,16,32H,14-15H2,1-2H3
InChIKeyKHQQPGZBCHMKDI-UHFFFAOYSA-N
MW463.48 g/mol
LogP3.97
Rot. Bonds6

About 2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide

2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide (PubChem CID 175551215) has the molecular formula C26H23F2N3O3 and a molecular weight of 463.48 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide
PubChem CID175551215
Molecular FormulaC26H23F2N3O3
Molecular Weight463.48 g/mol
Exact Mass463.17
IUPAC Name2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide
SMILESCC(C)(C(=O)N(CCO)c1ccccc1)c1nn(-c2ccc(F)cc2F)c(=O)c2ccccc12
InChIInChI=1S/C26H23F2N3O3/c1-26(2,25(34)30(14-15-32)18-8-4-3-5-9-18)23-19-10-6-7-11-20(19)24(33)31(29-23)22-13-12-17(27)16-21(22)28/h3-13,16,32H,14-15H2,1-2H3
InChIKeyKHQQPGZBCHMKDI-UHFFFAOYSA-N
XLogP3.97
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-2-methyl-3-phenylpropanoic acid
CID 175551193
4-[(4-chlorophenyl)methyl]-2-(2,4-difluorophenyl)phthalazin-1-one
CID 110192765
[1-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]azepan-3-yl]-methylcarbamic acid
CID 155346315
tert-butyl N-[(3R)-1-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]azepan-3-yl]-N-methylcarbamate
CID 155730879
1-[3-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]phenyl]cyclopentane-1-carboxylic acid
CID 155346173
2-(2,4-difluorophenyl)-4-(3-ethylsulfonylphenyl)-6-fluorophthalazin-1-one
CID 155346396
3-(2,4-difluorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one
CID 2365295
1-[1-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid
CID 155346075
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 16532167
1-(2,4-difluorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562093
4-bromo-5-tert-butyl-1-(2,4-difluorophenyl)pyrazole-3-carboxylic acid
CID 62875969

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide?
The IUPAC name of 2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide (CID 175551215) is 2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide is CC(C)(C(=O)N(CCO)c1ccccc1)c1nn(-c2ccc(F)cc2F)c(=O)c2ccccc12.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide?
The InChIKey is KHQQPGZBCHMKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O3/c1-26(2,25(34)30(14-15-32)18-8-4-3-5-9-18)23-19-10-6-7-11-20(19)24(33)31(29-23)22-13-12-17(27)16-21(22)28/h3-13,16,32H,14-15H2,1-2H3.
What are the key properties of 2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide?
2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide has a molecular weight of 463.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenyl)-4-oxophthalazin-1-yl]-N-(2-hydroxyethyl)-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 175551215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).