2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride

C18H22ClFN2O — CID 119737208

IUPAC2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
SMILESCCN(C(=O)Cc1ccc(N)cc1)C(C)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-3-21(13(2)15-6-8-16(19)9-7-15)18(22)12-14-4-10-17(20)11-5-14;/h4-11,13H,3,12,20H2,1-2H3;1H
InChIKeyWPWGNZDUPKFBSL-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride (PubChem CID 119737208) has the molecular formula C18H22ClFN2O and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
PubChem CID119737208
Molecular FormulaC18H22ClFN2O
Molecular Weight336.84 g/mol
Exact Mass336.14
IUPAC Name2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
SMILESCCN(C(=O)Cc1ccc(N)cc1)C(C)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-3-21(13(2)15-6-8-16(19)9-7-15)18(22)12-14-4-10-17(20)11-5-14;/h4-11,13H,3,12,20H2,1-2H3;1H
InChIKeyWPWGNZDUPKFBSL-UHFFFAOYSA-N
XLogP3.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
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

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
CID 82852194
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide
CID 119786192
2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride (CID 119737208) is 2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride is CCN(C(=O)Cc1ccc(N)cc1)C(C)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride?
The InChIKey is WPWGNZDUPKFBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O.ClH/c1-3-21(13(2)15-6-8-16(19)9-7-15)18(22)12-14-4-10-17(20)11-5-14;/h4-11,13H,3,12,20H2,1-2H3;1H.
What are the key properties of 2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119737208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).