3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide

C17H15F2N5O — CID 171348503

IUPAC3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide
SMILESCNCc1cn(-c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)nn1
InChIInChI=1S/C17H15F2N5O/c1-20-9-15-10-24(23-22-15)16-4-2-3-14(8-16)21-17(25)11-5-12(18)7-13(19)6-11/h2-8,10,20H,9H2,1H3,(H,21,25)
InChIKeyAJVVGPNRRCEWFD-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.52
Rot. Bonds5

About 3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide

3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide (PubChem CID 171348503) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide
PubChem CID171348503
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide
SMILESCNCc1cn(-c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)nn1
InChIInChI=1S/C17H15F2N5O/c1-20-9-15-10-24(23-22-15)16-4-2-3-14(8-16)21-17(25)11-5-12(18)7-13(19)6-11/h2-8,10,20H,9H2,1H3,(H,21,25)
InChIKeyAJVVGPNRRCEWFD-UHFFFAOYSA-N
XLogP2.52
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 46916310
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-(trifluoromethyl)benzamide
CID 53378082
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-2-fluorobenzamide
CID 53378924
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-fluorobenzamide
CID 71457817
N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide
CID 2104088
N-(1,3-diphenyl-1H-pyrazol-4-yl)benzamide
CID 2110831
Octanedioic Acid Hydroxyamide-[3-(4-Phenyl[1,2,3]triazol-1-yl)phenyl]amide
CID 46179779
Octanedioic Acid-[3-(4-Cyclohexyl-[1,2,3]triazol-1-yl)phenyl]-amide-Hydroxyamide
CID 46179780
N-[3-[1-(3,5-difluorophenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide
CID 46180761
N1-(2-aminophenyl)-N8-(3-(4-phenyl-1H-1,2,3-triazol-1-yl)phenyl)octanediamide
CID 46881225
1-(3-fluorophenyl)-3-(1-phenyl-1H-tetrazol-5-yl)propan-1-one
CID 46890422
N-[2-(4-phenyltriazol-1-yl)phenyl]benzamide
CID 145976004

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide (CID 171348503) is 3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide is CNCc1cn(-c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)nn1.
What is the InChIKey of 3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide?
The InChIKey is AJVVGPNRRCEWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-20-9-15-10-24(23-22-15)16-4-2-3-14(8-16)21-17(25)11-5-12(18)7-13(19)6-11/h2-8,10,20H,9H2,1H3,(H,21,25).
What are the key properties of 3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide?
3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide has a molecular weight of 343.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-[4-(methylaminomethyl)triazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 171348503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).