N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

C18H14FN3O2 — CID 58337473

IUPACN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H14FN3O2/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17/h2-11H,1H3,(H,22,23)
InChIKeyQVFWXQBJIYAWEL-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.97
Rot. Bonds4

About N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (PubChem CID 58337473) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
PubChem CID58337473
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H14FN3O2/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17/h2-11H,1H3,(H,22,23)
InChIKeyQVFWXQBJIYAWEL-UHFFFAOYSA-N
XLogP3.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide 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-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (CID 58337473) is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.
What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The InChIKey is QVFWXQBJIYAWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17/h2-11H,1H3,(H,22,23).
What are the key properties of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide has a molecular weight of 323.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 58337473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).