N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide

C13H11Cl2N3O — CID 114073585

IUPACN-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-4-3-5-8(2)11(7)12(19)17-10-6-9(14)16-13(15)18-10/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyZRSBFFLBGINLHB-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.65
Rot. Bonds2

About N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide

N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide (PubChem CID 114073585) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide
PubChem CID114073585
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC NameN-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-4-3-5-8(2)11(7)12(19)17-10-6-9(14)16-13(15)18-10/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyZRSBFFLBGINLHB-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide
CID 114073603
N-(2,6-dichloropyrimidin-4-yl)-2-hydroxybenzamide
CID 114073527
N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide
CID 114073080
N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114073335
propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 131748063
2,6-dichloro-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 5099860
N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide
CID 10613916
2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114251501
N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide
CID 114073216
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
N-(4-chloro-3-pyridinyl)-2,6-dimethylbenzamide
CID 103769247
N-(4-chlorophenyl)-2-hydroxy-6-methylbenzamide
CID 46215145

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide?
The IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide (CID 114073585) is N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)Nc1cc(Cl)nc(Cl)n1.
What is the InChIKey of N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide?
The InChIKey is ZRSBFFLBGINLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-7-4-3-5-8(2)11(7)12(19)17-10-6-9(14)16-13(15)18-10/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide?
N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide has a molecular weight of 296.16 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide is sourced from PubChem (CID 114073585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).