2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide

C17H14F2N4O2 — CID 59403007

IUPAC2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide
SMILESCc1nn(-c2ccccc2)nc1COc1ccc(F)c(C(N)=O)c1F
InChIInChI=1S/C17H14F2N4O2/c1-10-13(22-23(21-10)11-5-3-2-4-6-11)9-25-14-8-7-12(18)15(16(14)19)17(20)24/h2-8H,9H2,1H3,(H2,20,24)
InChIKeyDXTBSCJTOGQYHG-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.53
Rot. Bonds5

About 2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide

2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide (PubChem CID 59403007) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide
PubChem CID59403007
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide
SMILESCc1nn(-c2ccccc2)nc1COc1ccc(F)c(C(N)=O)c1F
InChIInChI=1S/C17H14F2N4O2/c1-10-13(22-23(21-10)11-5-3-2-4-6-11)9-25-14-8-7-12(18)15(16(14)19)17(20)24/h2-8H,9H2,1H3,(H2,20,24)
InChIKeyDXTBSCJTOGQYHG-UHFFFAOYSA-N
XLogP2.53
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
CID 143542941
2,6-difluoro-3-[(3-methylphenyl)methoxy]benzamide;ethane
CID 143542803
2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 59402902
3-[[4-(4-chloro-2-methylphenyl)-5-oxo-1,3,4-oxadiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 155528128
2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 66620086
2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237267
3-[4-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842789
3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide
CID 59402891
2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402749
3-[[3-(4-tert-butylphenyl)phenyl]methoxy]-2,6-difluorobenzamide
CID 90153643
5-methyl-2-phenyltriazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174597828
3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 72946293

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide (CID 59403007) is 2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide is Cc1nn(-c2ccccc2)nc1COc1ccc(F)c(C(N)=O)c1F.
What is the InChIKey of 2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide?
The InChIKey is DXTBSCJTOGQYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-10-13(22-23(21-10)11-5-3-2-4-6-11)9-25-14-8-7-12(18)15(16(14)19)17(20)24/h2-8H,9H2,1H3,(H2,20,24).
What are the key properties of 2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide?
2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide has a molecular weight of 344.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 59403007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).