4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide

C12H9Cl2N3O — CID 114052523

IUPAC4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)Nc1nccc(Cl)n1
InChIInChI=1S/C12H9Cl2N3O/c1-7-6-8(13)2-3-9(7)11(18)17-12-15-5-4-10(14)16-12/h2-6H,1H3,(H,15,16,17,18)
InChIKeyRCFDOXOOBODUMX-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.34
Rot. Bonds2

About 4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide

4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide (PubChem CID 114052523) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
PubChem CID114052523
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)Nc1nccc(Cl)n1
InChIInChI=1S/C12H9Cl2N3O/c1-7-6-8(13)2-3-9(7)11(18)17-12-15-5-4-10(14)16-12/h2-6H,1H3,(H,15,16,17,18)
InChIKeyRCFDOXOOBODUMX-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
CID 6481030
4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103779385
(4-chloropyrimidin-2-yl)carbamic acid
CID 135282743
2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
CID 114052237
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide
CID 114052239
2-amino-5-bromo-N-(4-chloropyrimidin-2-yl)pyridine-4-carboxamide
CID 114194072
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 103872165
2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052927
5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
CID 102705824
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
CID 132962288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide?
The IUPAC name of 4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide (CID 114052523) is 4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)Nc1nccc(Cl)n1.
What is the InChIKey of 4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide?
The InChIKey is RCFDOXOOBODUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7-6-8(13)2-3-9(7)11(18)17-12-15-5-4-10(14)16-12/h2-6H,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide?
4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide has a molecular weight of 282.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 114052523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).