N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide

C20H16F2N6O2 — CID 146294025

IUPACN-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(OC(F)F)c3)c2)nn1
InChIInChI=1S/C20H16F2N6O2/c1-27-12-23-10-18(27)17-11-28(26-25-17)15-6-2-4-13(8-15)19(29)24-14-5-3-7-16(9-14)30-20(21)22/h2-12,20H,1H3,(H,24,29)
InChIKeyDGVUWZJNMWLTNY-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.52
Rot. Bonds6

About N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide

N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide (PubChem CID 146294025) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
PubChem CID146294025
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC NameN-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(OC(F)F)c3)c2)nn1
InChIInChI=1S/C20H16F2N6O2/c1-27-12-23-10-18(27)17-11-28(26-25-17)15-6-2-4-13(8-15)19(29)24-14-5-3-7-16(9-14)30-20(21)22/h2-12,20H,1H3,(H,24,29)
InChIKeyDGVUWZJNMWLTNY-UHFFFAOYSA-N
XLogP3.52
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide (CID 146294025) is N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide is Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(OC(F)F)c3)c2)nn1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The InChIKey is DGVUWZJNMWLTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-27-12-23-10-18(27)17-11-28(26-25-17)15-6-2-4-13(8-15)19(29)24-14-5-3-7-16(9-14)30-20(21)22/h2-12,20H,1H3,(H,24,29).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide has a molecular weight of 410.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 146294025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).