N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

C17H12ClF2N3O3 — CID 7942994

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C17H12ClF2N3O3/c1-23-16(25)11-5-3-2-4-10(11)14(22-23)15(24)21-9-6-7-13(12(18)8-9)26-17(19)20/h2-8,17H,1H3,(H,21,24)
InChIKeyFOUCKNBZODYHEO-UHFFFAOYSA-N
MW379.75 g/mol
LogP3.44
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 7942994) has the molecular formula C17H12ClF2N3O3 and a molecular weight of 379.75 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID7942994
Molecular FormulaC17H12ClF2N3O3
Molecular Weight379.75 g/mol
Exact Mass379.05
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C17H12ClF2N3O3/c1-23-16(25)11-5-3-2-4-10(11)14(22-23)15(24)21-9-6-7-13(12(18)8-9)26-17(19)20/h2-8,17H,1H3,(H,21,24)
InChIKeyFOUCKNBZODYHEO-UHFFFAOYSA-N
XLogP3.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26901420
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2713554
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
methyl 4-(difluoromethoxy)-5-methoxy-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 55519315
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
CID 31508107
N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 3525242
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide
CID 29110977

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 7942994) is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccccc2c1=O.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is FOUCKNBZODYHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O3/c1-23-16(25)11-5-3-2-4-10(11)14(22-23)15(24)21-9-6-7-13(12(18)8-9)26-17(19)20/h2-8,17H,1H3,(H,21,24).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 379.75 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 7942994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).