N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride

C11H14ClF3N2O — CID 119548642

IUPACN-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O.ClH/c12-11(13,14)7-10(17)16-6-5-8-1-3-9(15)4-2-8;/h1-4H,5-7,15H2,(H,16,17);1H
InChIKeyDGRIZAOVPDYOAR-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride (PubChem CID 119548642) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride
PubChem CID119548642
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O.ClH/c12-11(13,14)7-10(17)16-6-5-8-1-3-9(15)4-2-8;/h1-4H,5-7,15H2,(H,16,17);1H
InChIKeyDGRIZAOVPDYOAR-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.30
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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3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
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N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide
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N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
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CID 119547405
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
CID 23389090
CID 23389090
3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60906071
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride
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4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride (CID 119548642) is N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)CC(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride?
The InChIKey is DGRIZAOVPDYOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.ClH/c12-11(13,14)7-10(17)16-6-5-8-1-3-9(15)4-2-8;/h1-4H,5-7,15H2,(H,16,17);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride has a molecular weight of 282.69 g/mol, XLogP of 2.30, 4 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]-3,3,3-trifluoropropanamide;hydrochloride is sourced from PubChem (CID 119548642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).