5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide

C18H9F3N4O2 — CID 58337587

IUPAC5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide
SMILESN#Cc1ccc(F)c(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H9F3N4O2/c19-14-2-1-10(6-22)3-13(14)18(26)25-11-4-15(20)17(21)16(5-11)27-12-7-23-9-24-8-12/h1-5,7-9H,(H,25,26)
InChIKeyAWCDGTDASMKRQL-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.81
Rot. Bonds4

About 5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide

5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide (PubChem CID 58337587) has the molecular formula C18H9F3N4O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide
PubChem CID58337587
Molecular FormulaC18H9F3N4O2
Molecular Weight370.29 g/mol
Exact Mass370.07
IUPAC Name5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide
SMILESN#Cc1ccc(F)c(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H9F3N4O2/c19-14-2-1-10(6-22)3-13(14)18(26)25-11-4-15(20)17(21)16(5-11)27-12-7-23-9-24-8-12/h1-5,7-9H,(H,25,26)
InChIKeyAWCDGTDASMKRQL-UHFFFAOYSA-N
XLogP3.81
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane
CID 161246066
N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
CID 123507104
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136
5-cyano-2-fluoro-N-propan-2-ylbenzamide
CID 83405153
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile
CID 107669732
N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide
CID 123137706
N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 161093395
N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107032756
[4-[(4-cyano-2-fluorobenzoyl)amino]phenyl] acetate
CID 23881794
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 58337549
4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide
CID 71198890

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide?
The IUPAC name of 5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide (CID 58337587) is 5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide is N#Cc1ccc(F)c(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1.
What is the InChIKey of 5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide?
The InChIKey is AWCDGTDASMKRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3N4O2/c19-14-2-1-10(6-22)3-13(14)18(26)25-11-4-15(20)17(21)16(5-11)27-12-7-23-9-24-8-12/h1-5,7-9H,(H,25,26).
What are the key properties of 5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide?
5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide has a molecular weight of 370.29 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluorobenzamide is sourced from PubChem (CID 58337587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).