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

C10H13Cl3F3N3O2 — CID 119893779

IUPAC2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3N3O2.2ClH/c11-7-3-6(10(12,13)14)5-17-9(7)19-2-1-16-8(18)4-15;;/h3,5H,1-2,4,15H2,(H,16,18);2*1H
InChIKeyPTCOMGCGAOPCOG-UHFFFAOYSA-N
MW370.59 g/mol
LogP2.05
Rot. Bonds5

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

2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride (PubChem CID 119893779) has the molecular formula C10H13Cl3F3N3O2 and a molecular weight of 370.59 g/mol. Its IUPAC name is 2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride
PubChem CID119893779
Molecular FormulaC10H13Cl3F3N3O2
Molecular Weight370.59 g/mol
Exact Mass369.00
IUPAC Name2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3N3O2.2ClH/c11-7-3-6(10(12,13)14)5-17-9(7)19-2-1-16-8(18)4-15;;/h3,5H,1-2,4,15H2,(H,16,18);2*1H
InChIKeyPTCOMGCGAOPCOG-UHFFFAOYSA-N
XLogP2.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]butanamide;dihydrochloride
CID 119893797
3-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]butanamide;dihydrochloride
CID 119893789
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119893774
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-ethylurea
CID 71994502
4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethylcarbamoylamino]butanoic acid
CID 122003521
tert-butyl N-[2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propylamino]-2-oxoethyl]carbamate
CID 71909048
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-iodobenzamide
CID 74767005
3-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119893759
3-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]cyclohexane-1-carboxamide
CID 119893760
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119893791
3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900876
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride (CID 119893779) is 2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride is Cl.Cl.NCC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride?
The InChIKey is PTCOMGCGAOPCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2.2ClH/c11-7-3-6(10(12,13)14)5-17-9(7)19-2-1-16-8(18)4-15;;/h3,5H,1-2,4,15H2,(H,16,18);2*1H.
What are the key properties of 2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride?
2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride has a molecular weight of 370.59 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119893779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).