N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide

C18H16BrN3O2 — CID 35682568

IUPACN-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
SMILESCN(Cc1ccccc1Br)C(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C18H16BrN3O2/c1-21(11-14-7-3-5-9-16(14)19)17(23)12-22-18(24)15-8-4-2-6-13(15)10-20-22/h2-10H,11-12H2,1H3
InChIKeyIYDQSHQGAIDPRB-UHFFFAOYSA-N
MW386.25 g/mol
LogP2.82
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide

N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 35682568) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID35682568
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
SMILESCN(Cc1ccccc1Br)C(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C18H16BrN3O2/c1-21(11-14-7-3-5-9-16(14)19)17(23)12-22-18(24)15-8-4-2-6-13(15)10-20-22/h2-10H,11-12H2,1H3
InChIKeyIYDQSHQGAIDPRB-UHFFFAOYSA-N
XLogP2.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide (CID 35682568) is N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide is CN(Cc1ccccc1Br)C(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is IYDQSHQGAIDPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-21(11-14-7-3-5-9-16(14)19)17(23)12-22-18(24)15-8-4-2-6-13(15)10-20-22/h2-10H,11-12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 386.25 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 35682568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).