N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide

C18H11FN4O2 — CID 52913683

IUPACN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide
SMILESN#Cc1cc(NC(=O)c2cccc(F)c2)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H11FN4O2/c19-14-3-1-2-13(6-14)18(24)23-15-4-12(8-20)5-16(7-15)25-17-9-21-11-22-10-17/h1-7,9-11H,(H,23,24)
InChIKeyQPARXJBLEUQDOZ-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.53
Rot. Bonds4

About N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide

N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide (PubChem CID 52913683) has the molecular formula C18H11FN4O2 and a molecular weight of 334.31 g/mol. Its IUPAC name is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide
PubChem CID52913683
Molecular FormulaC18H11FN4O2
Molecular Weight334.31 g/mol
Exact Mass334.09
IUPAC NameN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide
SMILESN#Cc1cc(NC(=O)c2cccc(F)c2)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H11FN4O2/c19-14-3-1-2-13(6-14)18(24)23-15-4-12(8-20)5-16(7-15)25-17-9-21-11-22-10-17/h1-7,9-11H,(H,23,24)
InChIKeyQPARXJBLEUQDOZ-UHFFFAOYSA-N
XLogP3.53
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide?
The IUPAC name of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide (CID 52913683) is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide is N#Cc1cc(NC(=O)c2cccc(F)c2)cc(Oc2cncnc2)c1.
What is the InChIKey of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide?
The InChIKey is QPARXJBLEUQDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O2/c19-14-3-1-2-13(6-14)18(24)23-15-4-12(8-20)5-16(7-15)25-17-9-21-11-22-10-17/h1-7,9-11H,(H,23,24).
What are the key properties of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide?
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide has a molecular weight of 334.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 52913683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).