N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide

C12H8Cl2FN3O — CID 114073080

IUPACN-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C12H8Cl2FN3O/c1-6-2-3-8(15)7(4-6)11(19)17-10-5-9(13)16-12(14)18-10/h2-5H,1H3,(H,16,17,18,19)
InChIKeyAWWXNTQMPIVODF-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.48
Rot. Bonds2

About N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide

N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide (PubChem CID 114073080) has the molecular formula C12H8Cl2FN3O and a molecular weight of 300.12 g/mol. Its IUPAC name is N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide
PubChem CID114073080
Molecular FormulaC12H8Cl2FN3O
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC NameN-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C12H8Cl2FN3O/c1-6-2-3-8(15)7(4-6)11(19)17-10-5-9(13)16-12(14)18-10/h2-5H,1H3,(H,16,17,18,19)
InChIKeyAWWXNTQMPIVODF-UHFFFAOYSA-N
XLogP3.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide 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-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide
CID 104819957
2-fluoro-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62509692
N-(2,6-dichloropyrimidin-4-yl)-2-hydroxybenzamide
CID 114073527
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide
CID 114073585
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide (CID 114073080) is N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2cc(Cl)nc(Cl)n2)c1.
What is the InChIKey of N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide?
The InChIKey is AWWXNTQMPIVODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O/c1-6-2-3-8(15)7(4-6)11(19)17-10-5-9(13)16-12(14)18-10/h2-5H,1H3,(H,16,17,18,19).
What are the key properties of N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide?
N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide has a molecular weight of 300.12 g/mol, XLogP of 3.48, 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-fluoro-5-methylbenzamide is sourced from PubChem (CID 114073080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).