N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide

C12H9ClFN3O — CID 10171527

IUPACN-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(Cl)nc2)cc1F
InChIInChI=1S/C12H9ClFN3O/c1-7-2-3-8(4-10(7)14)11(18)17-9-5-15-12(13)16-6-9/h2-6H,1H3,(H,17,18)
InChIKeyQDPHEMQSIMZQRG-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.83
Rot. Bonds2

About N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide

N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide (PubChem CID 10171527) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide
PubChem CID10171527
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC NameN-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(Cl)nc2)cc1F
InChIInChI=1S/C12H9ClFN3O/c1-7-2-3-8(4-10(7)14)11(18)17-9-5-15-12(13)16-6-9/h2-6H,1H3,(H,17,18)
InChIKeyQDPHEMQSIMZQRG-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide (CID 10171527) is N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cnc(Cl)nc2)cc1F.
What is the InChIKey of N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide?
The InChIKey is QDPHEMQSIMZQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c1-7-2-3-8(4-10(7)14)11(18)17-9-5-15-12(13)16-6-9/h2-6H,1H3,(H,17,18).
What are the key properties of N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide?
N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide has a molecular weight of 265.68 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-5-yl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 10171527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).