ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate

C13H15ClF3N3O3 — CID 9113385

IUPACethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H15ClF3N3O3/c1-3-20(7-10(21)19-12(22)23-4-2)11-9(14)5-8(6-18-11)13(15,16)17/h5-6H,3-4,7H2,1-2H3,(H,19,21,22)
InChIKeyARMYMXQSHCAFJE-UHFFFAOYSA-N
MW353.73 g/mol
LogP2.85
Rot. Bonds5

About ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate (PubChem CID 9113385) has the molecular formula C13H15ClF3N3O3 and a molecular weight of 353.73 g/mol. Its IUPAC name is ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate
PubChem CID9113385
Molecular FormulaC13H15ClF3N3O3
Molecular Weight353.73 g/mol
Exact Mass353.08
IUPAC Nameethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H15ClF3N3O3/c1-3-20(7-10(21)19-12(22)23-4-2)11-9(14)5-8(6-18-11)13(15,16)17/h5-6H,3-4,7H2,1-2H3,(H,19,21,22)
InChIKeyARMYMXQSHCAFJE-UHFFFAOYSA-N
XLogP2.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 9113454
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]-2-methylpropanoic acid
CID 62852767
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 47256308
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]propanenitrile
CID 54992825
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-propan-2-ylamino]acetic acid
CID 60829528
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]butanoic acid
CID 62825663
ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 124583640
3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 95345894
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
ethyl N-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]carbamothioyl]carbamate
CID 21464448
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate (CID 9113385) is ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate?
The InChIKey is ARMYMXQSHCAFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3O3/c1-3-20(7-10(21)19-12(22)23-4-2)11-9(14)5-8(6-18-11)13(15,16)17/h5-6H,3-4,7H2,1-2H3,(H,19,21,22).
What are the key properties of ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate has a molecular weight of 353.73 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 9113385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).