N-(6-chloropyrimidin-4-yl)benzamide

C11H8ClN3O — CID 824691

IUPACN-(6-chloropyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(Cl)ncn1)c1ccccc1
InChIInChI=1S/C11H8ClN3O/c12-9-6-10(14-7-13-9)15-11(16)8-4-2-1-3-5-8/h1-7H,(H,13,14,15,16)
InChIKeyDVGDEXBOHJQOCT-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.38
Rot. Bonds2

About N-(6-chloropyrimidin-4-yl)benzamide

N-(6-chloropyrimidin-4-yl)benzamide (PubChem CID 824691) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)benzamide
PubChem CID824691
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC NameN-(6-chloropyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(Cl)ncn1)c1ccccc1
InChIInChI=1S/C11H8ClN3O/c12-9-6-10(14-7-13-9)15-11(16)8-4-2-1-3-5-8/h1-7H,(H,13,14,15,16)
InChIKeyDVGDEXBOHJQOCT-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)benzamide?
The IUPAC name of N-(6-chloropyrimidin-4-yl)benzamide (CID 824691) is N-(6-chloropyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)benzamide?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)benzamide is O=C(Nc1cc(Cl)ncn1)c1ccccc1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)benzamide?
The InChIKey is DVGDEXBOHJQOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-9-6-10(14-7-13-9)15-11(16)8-4-2-1-3-5-8/h1-7H,(H,13,14,15,16).
What are the key properties of N-(6-chloropyrimidin-4-yl)benzamide?
N-(6-chloropyrimidin-4-yl)benzamide has a molecular weight of 233.66 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)benzamide is sourced from PubChem (CID 824691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).