N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide

C15H14ClFN4O2 — CID 10286670

IUPACN-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1cnc(Cl)nc1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C15H14ClFN4O2/c16-15-18-8-11(9-19-15)20-14(22)10-1-2-13(12(17)7-10)21-3-5-23-6-4-21/h1-2,7-9H,3-6H2,(H,20,22)
InChIKeyBDKQKEMBKJSTRW-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.36
Rot. Bonds3

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

N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide (PubChem CID 10286670) has the molecular formula C15H14ClFN4O2 and a molecular weight of 336.75 g/mol. Its IUPAC name is N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide
PubChem CID10286670
Molecular FormulaC15H14ClFN4O2
Molecular Weight336.75 g/mol
Exact Mass336.08
IUPAC NameN-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1cnc(Cl)nc1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C15H14ClFN4O2/c16-15-18-8-11(9-19-15)20-14(22)10-1-2-13(12(17)7-10)21-3-5-23-6-4-21/h1-2,7-9H,3-6H2,(H,20,22)
InChIKeyBDKQKEMBKJSTRW-UHFFFAOYSA-N
XLogP2.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide?
The IUPAC name of N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide (CID 10286670) is N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide is O=C(Nc1cnc(Cl)nc1)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide?
The InChIKey is BDKQKEMBKJSTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O2/c16-15-18-8-11(9-19-15)20-14(22)10-1-2-13(12(17)7-10)21-3-5-23-6-4-21/h1-2,7-9H,3-6H2,(H,20,22).
What are the key properties of N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide?
N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide has a molecular weight of 336.75 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 10286670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).