2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride

C18H22ClFN2O2 — CID 119822491

IUPAC2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride
SMILESCC(CC(O)c1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-12(10-17(22)14-4-6-15(19)7-5-14)21-18(23)11-13-2-8-16(20)9-3-13;/h2-9,12,17,22H,10-11,20H2,1H3,(H,21,23);1H
InChIKeyIXIHAZFUMFYOFT-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.00
Rot. Bonds6

About 2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride (PubChem CID 119822491) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride
PubChem CID119822491
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride
SMILESCC(CC(O)c1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-12(10-17(22)14-4-6-15(19)7-5-14)21-18(23)11-13-2-8-16(20)9-3-13;/h2-9,12,17,22H,10-11,20H2,1H3,(H,21,23);1H
InChIKeyIXIHAZFUMFYOFT-UHFFFAOYSA-N
XLogP3.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000345
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901
2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride
CID 119822525
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721
2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
(2S)-2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119345770
2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
CID 119796536
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 61120670
N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide
CID 110027378

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride (CID 119822491) is 2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride is CC(CC(O)c1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride?
The InChIKey is IXIHAZFUMFYOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2.ClH/c1-12(10-17(22)14-4-6-15(19)7-5-14)21-18(23)11-13-2-8-16(20)9-3-13;/h2-9,12,17,22H,10-11,20H2,1H3,(H,21,23);1H.
What are the key properties of 2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119822491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).