N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide

C22H21N3O2 — CID 7338613

IUPACN-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C(=O)c2cc(C)cc(C)c2)c2ncccn2)c1
InChIInChI=1S/C22H21N3O2/c1-14-8-15(2)11-18(10-14)20(26)25(22-23-6-5-7-24-22)21(27)19-12-16(3)9-17(4)13-19/h5-13H,1-4H3
InChIKeyFEVOTFQQXFGYJG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.20
Rot. Bonds3

About N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide

N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide (PubChem CID 7338613) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
PubChem CID7338613
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C(=O)c2cc(C)cc(C)c2)c2ncccn2)c1
InChIInChI=1S/C22H21N3O2/c1-14-8-15(2)11-18(10-14)20(26)25(22-23-6-5-7-24-22)21(27)19-12-16(3)9-17(4)13-19/h5-13H,1-4H3
InChIKeyFEVOTFQQXFGYJG-UHFFFAOYSA-N
XLogP4.20
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide 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-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide (CID 7338613) is N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide is Cc1cc(C)cc(C(=O)N(C(=O)c2cc(C)cc(C)c2)c2ncccn2)c1.
What is the InChIKey of N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is FEVOTFQQXFGYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-8-15(2)11-18(10-14)20(26)25(22-23-6-5-7-24-22)21(27)19-12-16(3)9-17(4)13-19/h5-13H,1-4H3.
What are the key properties of N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide?
N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide has a molecular weight of 359.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 7338613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).