N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

C23H19N3O3 — CID 1087197

IUPACN-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-26-23(28)20-6-4-3-5-19(20)21(25-26)15-7-9-16(10-8-15)22(27)24-17-11-13-18(29-2)14-12-17/h3-14H,1-2H3,(H,24,27)
InChIKeyYSKABPWGCVKSQR-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.86
Rot. Bonds4

About N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (PubChem CID 1087197) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
PubChem CID1087197
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-26-23(28)20-6-4-3-5-19(20)21(25-26)15-7-9-16(10-8-15)22(27)24-17-11-13-18(29-2)14-12-17/h3-14H,1-2H3,(H,24,27)
InChIKeyYSKABPWGCVKSQR-UHFFFAOYSA-N
XLogP3.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1290808
1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one
CID 161361548
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 2900595
N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 71709074
4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-phenylbenzamide
CID 67549849
N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide
CID 1298762
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide
CID 2025937
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (CID 1087197) is N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is COc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The InChIKey is YSKABPWGCVKSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-26-23(28)20-6-4-3-5-19(20)21(25-26)15-7-9-16(10-8-15)22(27)24-17-11-13-18(29-2)14-12-17/h3-14H,1-2H3,(H,24,27).
What are the key properties of N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide has a molecular weight of 385.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is sourced from PubChem (CID 1087197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).