N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide

C20H21N3O2 — CID 6401687

IUPACN,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(-c2nnc(OC)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-4-23(5-2)20(24)15-12-10-14(11-13-15)18-16-8-6-7-9-17(16)19(25-3)22-21-18/h6-13H,4-5H2,1-3H3
InChIKeyGVQXVUVDNSTWKS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.79
Rot. Bonds5

About N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide

N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide (PubChem CID 6401687) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide
PubChem CID6401687
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(-c2nnc(OC)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-4-23(5-2)20(24)15-12-10-14(11-13-15)18-16-8-6-7-9-17(16)19(25-3)22-21-18/h6-13H,4-5H2,1-3H3
InChIKeyGVQXVUVDNSTWKS-UHFFFAOYSA-N
XLogP3.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopropyl-4-methyl-3-(1-(1-methylethoxy)-6-phthalazinyl)benzamide
CID 11848309
(1R,9S)-11-[4-(4-methoxyphthalazin-1-yl)benzoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 664725
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide
CID 6407400
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]-4-methylbenzamide
CID 6407054
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
[4-(6-Methoxypyridazin-3-yl)phenyl]-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 134800809
N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134800900
4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 134801069
N-[(3-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801201
[4-[3-(6-Methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134801224

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide?
The IUPAC name of N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide (CID 6401687) is N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide?
The canonical SMILES for N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide is CCN(CC)C(=O)c1ccc(-c2nnc(OC)c3ccccc23)cc1.
What is the InChIKey of N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide?
The InChIKey is GVQXVUVDNSTWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-23(5-2)20(24)15-12-10-14(11-13-15)18-16-8-6-7-9-17(16)19(25-3)22-21-18/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide?
N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide is sourced from PubChem (CID 6401687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).