3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide

C23H19N3O2 — CID 24658495

IUPAC3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(Oc3nnc(C)c4ccccc34)cc2)c1
InChIInChI=1S/C23H19N3O2/c1-15-6-5-7-17(14-15)22(27)24-18-10-12-19(13-11-18)28-23-21-9-4-3-8-20(21)16(2)25-26-23/h3-14H,1-2H3,(H,24,27)
InChIKeyNAKMMZRONRSACK-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.29
Rot. Bonds4

About 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide

3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide (PubChem CID 24658495) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide
PubChem CID24658495
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(Oc3nnc(C)c4ccccc34)cc2)c1
InChIInChI=1S/C23H19N3O2/c1-15-6-5-7-17(14-15)22(27)24-18-10-12-19(13-11-18)28-23-21-9-4-3-8-20(21)16(2)25-26-23/h3-14H,1-2H3,(H,24,27)
InChIKeyNAKMMZRONRSACK-UHFFFAOYSA-N
XLogP5.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide
CID 24661832
3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide
CID 9110957
N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 2900595
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 6407169
CID 87724838
CID 87724838
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
methyl 2,5-dimethyl-4-[4-[(3-methylbenzoyl)amino]phenoxy]thieno[2,3-d]pyrimidine-6-carboxylate
CID 26441937

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide (CID 24658495) is 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(Oc3nnc(C)c4ccccc34)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide?
The InChIKey is NAKMMZRONRSACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-6-5-7-17(14-15)22(27)24-18-10-12-19(13-11-18)28-23-21-9-4-3-8-20(21)16(2)25-26-23/h3-14H,1-2H3,(H,24,27).
What are the key properties of 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide?
3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide is sourced from PubChem (CID 24658495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).