N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride

C10H12ClF3N2O — CID 22906098

IUPACN-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O.ClH/c11-10(12,13)9(16)15-6-5-7-1-3-8(14)4-2-7;/h1-4H,5-6,14H2,(H,15,16);1H
InChIKeyOOMABJIMUBGRRS-UHFFFAOYSA-N
MW268.67 g/mol
LogP1.91
Rot. Bonds3

About N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 22906098) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
PubChem CID22906098
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O.ClH/c11-10(12,13)9(16)15-6-5-7-1-3-8(14)4-2-7;/h1-4H,5-6,14H2,(H,15,16);1H
InChIKeyOOMABJIMUBGRRS-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride
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N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 58723639
2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide
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N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride
CID 119548327
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
CID 23389090
CID 23389090
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
CID 119549666
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
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CID 110478416

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride (CID 22906098) is N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is OOMABJIMUBGRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O.ClH/c11-10(12,13)9(16)15-6-5-7-1-3-8(14)4-2-7;/h1-4H,5-6,14H2,(H,15,16);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 268.67 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 22906098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).