3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide

C18H11FN4O2 — CID 58337682

IUPAC3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H11FN4O2/c19-14-5-15(7-16(6-14)25-17-9-21-11-22-10-17)23-18(24)13-3-1-2-12(4-13)8-20/h1-7,9-11H,(H,23,24)
InChIKeySAXGCRZWAFSEOA-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.53
Rot. Bonds4

About 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide

3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide (PubChem CID 58337682) has the molecular formula C18H11FN4O2 and a molecular weight of 334.31 g/mol. Its IUPAC name is 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
PubChem CID58337682
Molecular FormulaC18H11FN4O2
Molecular Weight334.31 g/mol
Exact Mass334.09
IUPAC Name3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H11FN4O2/c19-14-5-15(7-16(6-14)25-17-9-21-11-22-10-17)23-18(24)13-3-1-2-12(4-13)8-20/h1-7,9-11H,(H,23,24)
InChIKeySAXGCRZWAFSEOA-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 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide 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 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The IUPAC name of 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide (CID 58337682) is 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide is N#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.
What is the InChIKey of 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The InChIKey is SAXGCRZWAFSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O2/c19-14-5-15(7-16(6-14)25-17-9-21-11-22-10-17)23-18(24)13-3-1-2-12(4-13)8-20/h1-7,9-11H,(H,23,24).
What are the key properties of 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide 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 3-cyano-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide is sourced from PubChem (CID 58337682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).