N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride

C12H16ClF3N2O2 — CID 119405880

IUPACN-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
SMILESCl.NCCCNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2.ClH/c13-12(14,15)9-3-1-4-10(7-9)19-8-11(18)17-6-2-5-16;/h1,3-4,7H,2,5-6,8,16H2,(H,17,18);1H
InChIKeyPEXQAJZPUKMBJB-UHFFFAOYSA-N
MW312.72 g/mol
LogP1.97
Rot. Bonds6

About N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride

N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride (PubChem CID 119405880) has the molecular formula C12H16ClF3N2O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
PubChem CID119405880
Molecular FormulaC12H16ClF3N2O2
Molecular Weight312.72 g/mol
Exact Mass312.09
IUPAC NameN-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
SMILESCl.NCCCNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2.ClH/c13-12(14,15)9-3-1-4-10(7-9)19-8-11(18)17-6-2-5-16;/h1,3-4,7H,2,5-6,8,16H2,(H,17,18);1H
InChIKeyPEXQAJZPUKMBJB-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758624
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757900
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758512
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9473964
2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575880
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119475585
N-(3-aminopropyl)-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119405227
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 78810551

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride (CID 119405880) is N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride is Cl.NCCCNC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The InChIKey is PEXQAJZPUKMBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2.ClH/c13-12(14,15)9-3-1-4-10(7-9)19-8-11(18)17-6-2-5-16;/h1,3-4,7H,2,5-6,8,16H2,(H,17,18);1H.
What are the key properties of N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride has a molecular weight of 312.72 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119405880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).