2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate

C13H14ClF3N2O2 — CID 2350214

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate
SMILESO=C(OCCNc1ncc(C(F)(F)F)cc1Cl)C1CCC1
InChIInChI=1S/C13H14ClF3N2O2/c14-10-6-9(13(15,16)17)7-19-11(10)18-4-5-21-12(20)8-2-1-3-8/h6-8H,1-5H2,(H,18,19)
InChIKeyTXELFVJAYWSACR-UHFFFAOYSA-N
MW322.71 g/mol
LogP3.51
Rot. Bonds5

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate (PubChem CID 2350214) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate
PubChem CID2350214
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate
SMILESO=C(OCCNc1ncc(C(F)(F)F)cc1Cl)C1CCC1
InChIInChI=1S/C13H14ClF3N2O2/c14-10-6-9(13(15,16)17)7-19-11(10)18-4-5-21-12(20)8-2-1-3-8/h6-8H,1-5H2,(H,18,19)
InChIKeyTXELFVJAYWSACR-UHFFFAOYSA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate
CID 2084415
5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxamide
CID 2765101
Methyl 4-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyrrolidinecarboxylate
CID 2775333
1-[5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-1-ethanone
CID 4268252
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 16300662
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide
CID 2333297
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] propanoate
CID 2100853
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3909192
[2-[(3,5-Dichloropyridin-2-yl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 8019939
Ethyl 3-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}-3-iminopropanoate
CID 16195216
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methylcyclopropane-1-carboxylate
CID 16525190
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate
CID 24686077

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate (CID 2350214) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate is O=C(OCCNc1ncc(C(F)(F)F)cc1Cl)C1CCC1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate?
The InChIKey is TXELFVJAYWSACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c14-10-6-9(13(15,16)17)7-19-11(10)18-4-5-21-12(20)8-2-1-3-8/h6-8H,1-5H2,(H,18,19).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate has a molecular weight of 322.71 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate is sourced from PubChem (CID 2350214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).