4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide

C23H19N5O2 — CID 1418252

IUPAC4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide
SMILESCNC(=O)c1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H19N5O2/c1-25-23(30)16-10-12-17(13-11-16)26-22-19-5-3-2-4-18(19)20(27-28-22)14-6-8-15(9-7-14)21(24)29/h2-13H,1H3,(H2,24,29)(H,25,30)(H,26,28)
InChIKeyKLZAKBCMUNTQMJ-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.50
Rot. Bonds5

About 4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide

4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide (PubChem CID 1418252) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide
PubChem CID1418252
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide
SMILESCNC(=O)c1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H19N5O2/c1-25-23(30)16-10-12-17(13-11-16)26-22-19-5-3-2-4-18(19)20(27-28-22)14-6-8-15(9-7-14)21(24)29/h2-13H,1H3,(H2,24,29)(H,25,30)(H,26,28)
InChIKeyKLZAKBCMUNTQMJ-UHFFFAOYSA-N
XLogP3.50
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide?
The IUPAC name of 4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide (CID 1418252) is 4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide is CNC(=O)c1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide?
The InChIKey is KLZAKBCMUNTQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-25-23(30)16-10-12-17(13-11-16)26-22-19-5-3-2-4-18(19)20(27-28-22)14-6-8-15(9-7-14)21(24)29/h2-13H,1H3,(H2,24,29)(H,25,30)(H,26,28).
What are the key properties of 4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide?
4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide has a molecular weight of 397.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(methylcarbamoyl)anilino]phthalazin-1-yl]benzamide is sourced from PubChem (CID 1418252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).