N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide

C11H6ClF2N3O — CID 10149311

IUPACN-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide
SMILESO=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H6ClF2N3O/c12-11-15-4-7(5-16-11)17-10(18)6-1-2-8(13)9(14)3-6/h1-5H,(H,17,18)
InChIKeyIIBSHMFXVWTQSJ-UHFFFAOYSA-N
MW269.64 g/mol
LogP2.66
Rot. Bonds2

About N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide

N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide (PubChem CID 10149311) has the molecular formula C11H6ClF2N3O and a molecular weight of 269.64 g/mol. Its IUPAC name is N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide
PubChem CID10149311
Molecular FormulaC11H6ClF2N3O
Molecular Weight269.64 g/mol
Exact Mass269.02
IUPAC NameN-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide
SMILESO=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H6ClF2N3O/c12-11-15-4-7(5-16-11)17-10(18)6-1-2-8(13)9(14)3-6/h1-5H,(H,17,18)
InChIKeyIIBSHMFXVWTQSJ-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.64
LogP ≤ 52.66
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)-3,4-difluorobenzamide?
The IUPAC name of N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide (CID 10149311) is N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide is O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide?
The InChIKey is IIBSHMFXVWTQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2N3O/c12-11-15-4-7(5-16-11)17-10(18)6-1-2-8(13)9(14)3-6/h1-5H,(H,17,18).
What are the key properties of N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide?
N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide has a molecular weight of 269.64 g/mol, XLogP of 2.66, 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)-3,4-difluorobenzamide is sourced from PubChem (CID 10149311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).