2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride

C10H13Cl2F3N4O2 — CID 18526045

IUPAC2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride
SMILESCl.NOCC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H12ClF3N4O2.ClH/c11-7-3-6(10(12,13)14)4-18-9(7)17-2-1-16-8(19)5-20-15;/h3-4H,1-2,5,15H2,(H,16,19)(H,17,18);1H
InChIKeyKXDLJTBLZSHEQP-UHFFFAOYSA-N
MW349.14 g/mol
LogP1.59
Rot. Bonds6

About 2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride

2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride (PubChem CID 18526045) has the molecular formula C10H13Cl2F3N4O2 and a molecular weight of 349.14 g/mol. Its IUPAC name is 2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride
PubChem CID18526045
Molecular FormulaC10H13Cl2F3N4O2
Molecular Weight349.14 g/mol
Exact Mass348.04
IUPAC Name2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride
SMILESCl.NOCC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H12ClF3N4O2.ClH/c11-7-3-6(10(12,13)14)4-18-9(7)17-2-1-16-8(19)5-20-15;/h3-4H,1-2,5,15H2,(H,16,19)(H,17,18);1H
InChIKeyKXDLJTBLZSHEQP-UHFFFAOYSA-N
XLogP1.59
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119383283
N-(2-amino-2-methylpropyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide;dihydrochloride
CID 119627496
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 27888885
ethyl 1-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 27888922
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 27888731
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652715
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2H-benzotriazole-5-carboxamide
CID 32642523
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26373641
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]formamide
CID 145422813
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-iodobenzamide
CID 26373720

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride (CID 18526045) is 2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride is Cl.NOCC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride?
The InChIKey is KXDLJTBLZSHEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O2.ClH/c11-7-3-6(10(12,13)14)4-18-9(7)17-2-1-16-8(19)5-20-15;/h3-4H,1-2,5,15H2,(H,16,19)(H,17,18);1H.
What are the key properties of 2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride?
2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride has a molecular weight of 349.14 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 18526045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).