N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide

C20H14F4N6O — CID 146293970

IUPACN-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3F)c2)nn1
InChIInChI=1S/C20H14F4N6O/c1-29-11-25-9-17(29)16-10-30(28-27-16)13-5-2-4-12(8-13)19(31)26-15-7-3-6-14(18(15)21)20(22,23)24/h2-11H,1H3,(H,26,31)
InChIKeyLCCGRRFYRPMAIF-UHFFFAOYSA-N
MW430.37 g/mol
LogP4.08
Rot. Bonds4

About N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide

N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide (PubChem CID 146293970) has the molecular formula C20H14F4N6O and a molecular weight of 430.37 g/mol. Its IUPAC name is N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
PubChem CID146293970
Molecular FormulaC20H14F4N6O
Molecular Weight430.37 g/mol
Exact Mass430.12
IUPAC NameN-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3F)c2)nn1
InChIInChI=1S/C20H14F4N6O/c1-29-11-25-9-17(29)16-10-30(28-27-16)13-5-2-4-12(8-13)19(31)26-15-7-3-6-14(18(15)21)20(22,23)24/h2-11H,1H3,(H,26,31)
InChIKeyLCCGRRFYRPMAIF-UHFFFAOYSA-N
XLogP4.08
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-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

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide (CID 146293970) is N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide.
What is the SMILES notation for N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The canonical SMILES for N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide is Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3F)c2)nn1.
What is the InChIKey of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The InChIKey is LCCGRRFYRPMAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N6O/c1-29-11-25-9-17(29)16-10-30(28-27-16)13-5-2-4-12(8-13)19(31)26-15-7-3-6-14(18(15)21)20(22,23)24/h2-11H,1H3,(H,26,31).
What are the key properties of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide has a molecular weight of 430.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 146293970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).