2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide

C18H23F2N5O — CID 122441051

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide
SMILESNCC1(CC(=O)Nc2cn(Cc3c(F)cccc3F)nn2)CCCCC1
InChIInChI=1S/C18H23F2N5O/c19-14-5-4-6-15(20)13(14)10-25-11-16(23-24-25)22-17(26)9-18(12-21)7-2-1-3-8-18/h4-6,11H,1-3,7-10,12,21H2,(H,22,26)
InChIKeyYAWLOPSSSOSSJA-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.84
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide (PubChem CID 122441051) has the molecular formula C18H23F2N5O and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide
PubChem CID122441051
Molecular FormulaC18H23F2N5O
Molecular Weight363.41 g/mol
Exact Mass363.19
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide
SMILESNCC1(CC(=O)Nc2cn(Cc3c(F)cccc3F)nn2)CCCCC1
InChIInChI=1S/C18H23F2N5O/c19-14-5-4-6-15(20)13(14)10-25-11-16(23-24-25)22-17(26)9-18(12-21)7-2-1-3-8-18/h4-6,11H,1-3,7-10,12,21H2,(H,22,26)
InChIKeyYAWLOPSSSOSSJA-UHFFFAOYSA-N
XLogP2.84
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide (CID 122441051) is 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide is NCC1(CC(=O)Nc2cn(Cc3c(F)cccc3F)nn2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide?
The InChIKey is YAWLOPSSSOSSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O/c19-14-5-4-6-15(20)13(14)10-25-11-16(23-24-25)22-17(26)9-18(12-21)7-2-1-3-8-18/h4-6,11H,1-3,7-10,12,21H2,(H,22,26).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide has a molecular weight of 363.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]acetamide is sourced from PubChem (CID 122441051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).