3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C11H11F2N5O — CID 107121133

IUPAC3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESNc1cc(F)cc(C(=O)NCCc2ncn[nH]2)c1F
InChIInChI=1S/C11H11F2N5O/c12-6-3-7(10(13)8(14)4-6)11(19)15-2-1-9-16-5-17-18-9/h3-5H,1-2,14H2,(H,15,19)(H,16,17,18)
InChIKeyVMZOMEZIACPAIZ-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.64
Rot. Bonds4

About 3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 107121133) has the molecular formula C11H11F2N5O and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID107121133
Molecular FormulaC11H11F2N5O
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESNc1cc(F)cc(C(=O)NCCc2ncn[nH]2)c1F
InChIInChI=1S/C11H11F2N5O/c12-6-3-7(10(13)8(14)4-6)11(19)15-2-1-9-16-5-17-18-9/h3-5H,1-2,14H2,(H,15,19)(H,16,17,18)
InChIKeyVMZOMEZIACPAIZ-UHFFFAOYSA-N
XLogP0.64
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4,5-difluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518550
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113256537
2-bromo-5-fluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64545931
2,3,4,5-tetrafluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547700
5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64517582
5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64525533
3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 105386573
2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104919903
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
CID 107121095
3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide
CID 107843161

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 107121133) is 3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is Nc1cc(F)cc(C(=O)NCCc2ncn[nH]2)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is VMZOMEZIACPAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O/c12-6-3-7(10(13)8(14)4-6)11(19)15-2-1-9-16-5-17-18-9/h3-5H,1-2,14H2,(H,15,19)(H,16,17,18).
What are the key properties of 3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 267.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 107121133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).