3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide

C18H17N3O2 — CID 7185876

IUPAC3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C18H17N3O2/c1-11-7-12(2)9-13(8-11)17(22)19-10-16-14-5-3-4-6-15(14)18(23)21-20-16/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyIHEKAUVSADVQJP-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.47
Rot. Bonds3

About 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide

3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide (PubChem CID 7185876) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
PubChem CID7185876
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C18H17N3O2/c1-11-7-12(2)9-13(8-11)17(22)19-10-16-14-5-3-4-6-15(14)18(23)21-20-16/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyIHEKAUVSADVQJP-UHFFFAOYSA-N
XLogP2.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-oxo-3H-phthalazin-1-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 18583495
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide
CID 7185885
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 50956198
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide
CID 121048410
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112
ethyl 2-[[2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetyl]amino]acetate
CID 43996615

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide (CID 7185876) is 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide is Cc1cc(C)cc(C(=O)NCc2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide?
The InChIKey is IHEKAUVSADVQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-7-12(2)9-13(8-11)17(22)19-10-16-14-5-3-4-6-15(14)18(23)21-20-16/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide?
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide is sourced from PubChem (CID 7185876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).