N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

C19H17F2N3O2 — CID 134061493

IUPACN-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)Nc2cc(F)cc(F)c2)c2ccccc2c1=O
InChIInChI=1S/C19H17F2N3O2/c1-11(2)10-24-19(26)16-6-4-3-5-15(16)17(23-24)18(25)22-14-8-12(20)7-13(21)9-14/h3-9,11H,10H2,1-2H3,(H,22,25)
InChIKeyKLGUUOZQUYMTQN-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.58
Rot. Bonds4

About N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 134061493) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID134061493
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)Nc2cc(F)cc(F)c2)c2ccccc2c1=O
InChIInChI=1S/C19H17F2N3O2/c1-11(2)10-24-19(26)16-6-4-3-5-15(16)17(23-24)18(25)22-14-8-12(20)7-13(21)9-14/h3-9,11H,10H2,1-2H3,(H,22,25)
InChIKeyKLGUUOZQUYMTQN-UHFFFAOYSA-N
XLogP3.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
N-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51159012
3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
CID 9293948
N-[4-[(2R)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 7935649
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668
3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide
CID 55551620
3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
CID 51194000
3-(2-methylpropyl)-4-oxo-N'-(2,3,5,6-tetrafluorophenyl)phthalazine-1-carbohydrazide
CID 2094928
ethyl 4-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 7926438
3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide
CID 78859773

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 134061493) is N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is CC(C)Cn1nc(C(=O)Nc2cc(F)cc(F)c2)c2ccccc2c1=O.
What is the InChIKey of N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is KLGUUOZQUYMTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-11(2)10-24-19(26)16-6-4-3-5-15(16)17(23-24)18(25)22-14-8-12(20)7-13(21)9-14/h3-9,11H,10H2,1-2H3,(H,22,25).
What are the key properties of N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 134061493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).