N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide

C23H18F2N4O2 — CID 24533546

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C23H18F2N4O2/c24-23(25)31-21-11-8-19(13-18(21)12-16-4-2-1-3-5-16)28-22(30)17-6-9-20(10-7-17)29-15-26-14-27-29/h1-11,13-15,23H,12H2,(H,28,30)
InChIKeyIAUVHBZFJADBMP-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.71
Rot. Bonds7

About N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 24533546) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID24533546
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C23H18F2N4O2/c24-23(25)31-21-11-8-19(13-18(21)12-16-4-2-1-3-5-16)28-22(30)17-6-9-20(10-7-17)29-15-26-14-27-29/h1-11,13-15,23H,12H2,(H,28,30)
InChIKeyIAUVHBZFJADBMP-UHFFFAOYSA-N
XLogP4.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 24533546) is N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is IAUVHBZFJADBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c24-23(25)31-21-11-8-19(13-18(21)12-16-4-2-1-3-5-16)28-22(30)17-6-9-20(10-7-17)29-15-26-14-27-29/h1-11,13-15,23H,12H2,(H,28,30).
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 420.42 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 24533546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).