N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide

C16H18ClFN4O — CID 126785962

IUPACN-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC1(c2ccc(F)cc2Cl)CCCC1
InChIInChI=1S/C16H18ClFN4O/c17-14-9-12(18)3-4-13(14)16(5-1-2-6-16)11-19-15(23)10-22-8-7-20-21-22/h3-4,7-9H,1-2,5-6,10-11H2,(H,19,23)
InChIKeyGLTMRNAIFSNSEM-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.70
Rot. Bonds5

About N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide

N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide (PubChem CID 126785962) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide
PubChem CID126785962
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC NameN-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC1(c2ccc(F)cc2Cl)CCCC1
InChIInChI=1S/C16H18ClFN4O/c17-14-9-12(18)3-4-13(14)16(5-1-2-6-16)11-19-15(23)10-22-8-7-20-21-22/h3-4,7-9H,1-2,5-6,10-11H2,(H,19,23)
InChIKeyGLTMRNAIFSNSEM-UHFFFAOYSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-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 N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide (CID 126785962) is N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCC1(c2ccc(F)cc2Cl)CCCC1.
What is the InChIKey of N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide?
The InChIKey is GLTMRNAIFSNSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c17-14-9-12(18)3-4-13(14)16(5-1-2-6-16)11-19-15(23)10-22-8-7-20-21-22/h3-4,7-9H,1-2,5-6,10-11H2,(H,19,23).
What are the key properties of N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide?
N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide has a molecular weight of 336.80 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 126785962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).