N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

C16H12FN3O2 — CID 18076741

IUPACN-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H12FN3O2/c1-9-8-10(17)6-7-13(9)18-16(22)14-11-4-2-3-5-12(11)15(21)20-19-14/h2-8H,1H3,(H,18,22)(H,20,21)
InChIKeySMHBVTLLUGWPBO-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.62
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 18076741) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID18076741
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H12FN3O2/c1-9-8-10(17)6-7-13(9)18-16(22)14-11-4-2-3-5-12(11)15(21)20-19-14/h2-8H,1H3,(H,18,22)(H,20,21)
InChIKeySMHBVTLLUGWPBO-UHFFFAOYSA-N
XLogP2.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
N-(2,4-dimethyl-5-nitrophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 2511469
N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79042904
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-[1-(4-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17441646
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-phthalazine-1-carboxamide
CID 33369765
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
4-amino-5-cyclopropyl-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62077288
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 166219072
N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18106776

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 18076741) is N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide is Cc1cc(F)ccc1NC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is SMHBVTLLUGWPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-9-8-10(17)6-7-13(9)18-16(22)14-11-4-2-3-5-12(11)15(21)20-19-14/h2-8H,1H3,(H,18,22)(H,20,21).
What are the key properties of N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 18076741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).