4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide

C23H20N4O — CID 1419523

IUPAC4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide
SMILESCc1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)c(C)c1
InChIInChI=1S/C23H20N4O/c1-14-7-12-20(15(2)13-14)25-23-19-6-4-3-5-18(19)21(26-27-23)16-8-10-17(11-9-16)22(24)28/h3-13H,1-2H3,(H2,24,28)(H,25,27)
InChIKeyLOFLDMZRIDDPSL-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.76
Rot. Bonds4

About 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide

4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide (PubChem CID 1419523) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide
PubChem CID1419523
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide
SMILESCc1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)c(C)c1
InChIInChI=1S/C23H20N4O/c1-14-7-12-20(15(2)13-14)25-23-19-6-4-3-5-18(19)21(26-27-23)16-8-10-17(11-9-16)22(24)28/h3-13H,1-2H3,(H2,24,28)(H,25,27)
InChIKeyLOFLDMZRIDDPSL-UHFFFAOYSA-N
XLogP4.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(3-methylanilino)phthalazin-1-yl]benzoate
CID 56949020
methyl 4-[4-(3-methylanilino)phthalazin-1-yl]benzoate;methyl 4-[4-(4-methylanilino)phthalazin-1-yl]benzoate
CID 162135819
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625
3-[[4-(4-methylphenyl)phthalazin-1-yl]amino]propanoic acid
CID 82192890
4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
CID 3657451
3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide
CID 153321752
4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17374992
2-[[6-(4-carbamoylphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 57479024
4-[4-[[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-9-yl]amino]phthalazin-1-yl]benzamide
CID 3422996
methyl 4-(2,4-dimethylanilino)quinazoline-2-carboxylate
CID 139207867
N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine
CID 70226955
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide?
The IUPAC name of 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide (CID 1419523) is 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide is Cc1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)c(C)c1.
What is the InChIKey of 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide?
The InChIKey is LOFLDMZRIDDPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-14-7-12-20(15(2)13-14)25-23-19-6-4-3-5-18(19)21(26-27-23)16-8-10-17(11-9-16)22(24)28/h3-13H,1-2H3,(H2,24,28)(H,25,27).
What are the key properties of 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide?
4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzamide is sourced from PubChem (CID 1419523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).