4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide

C18H11F4N3O2 — CID 155814719

IUPAC4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide
SMILESO=C(Nc1cncnc1Oc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C18H11F4N3O2/c19-13-6-4-11(5-7-13)16(26)25-15-9-23-10-24-17(15)27-14-3-1-2-12(8-14)18(20,21)22/h1-10H,(H,25,26)
InChIKeyLZZNLUAFEBWFSS-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.68
Rot. Bonds4

About 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide

4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide (PubChem CID 155814719) has the molecular formula C18H11F4N3O2 and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide
PubChem CID155814719
Molecular FormulaC18H11F4N3O2
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC Name4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide
SMILESO=C(Nc1cncnc1Oc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C18H11F4N3O2/c19-13-6-4-11(5-7-13)16(26)25-15-9-23-10-24-17(15)27-14-3-1-2-12(8-14)18(20,21)22/h1-10H,(H,25,26)
InChIKeyLZZNLUAFEBWFSS-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxamide
CID 10137595
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268482
N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 12849353
3-[[2,6-bis[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]pyridine-4-carboxylic acid
CID 88891445
5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 3760290
N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 2797721
N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 102921222
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 15614422
5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701194
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide (CID 155814719) is 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide is O=C(Nc1cncnc1Oc1cccc(C(F)(F)F)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide?
The InChIKey is LZZNLUAFEBWFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O2/c19-13-6-4-11(5-7-13)16(26)25-15-9-23-10-24-17(15)27-14-3-1-2-12(8-14)18(20,21)22/h1-10H,(H,25,26).
What are the key properties of 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide?
4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide has a molecular weight of 377.30 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 155814719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).