2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide

C17H19FN2O2 — CID 140564775

IUPAC2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide
SMILESNC(=O)Cc1ccc(F)cc1N(CCO)Cc1ccccc1
InChIInChI=1S/C17H19FN2O2/c18-15-7-6-14(10-17(19)22)16(11-15)20(8-9-21)12-13-4-2-1-3-5-13/h1-7,11,21H,8-10,12H2,(H2,19,22)
InChIKeyLGWMZOFPPZAGCS-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.85
Rot. Bonds7

About 2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide

2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide (PubChem CID 140564775) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide
PubChem CID140564775
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide
SMILESNC(=O)Cc1ccc(F)cc1N(CCO)Cc1ccccc1
InChIInChI=1S/C17H19FN2O2/c18-15-7-6-14(10-17(19)22)16(11-15)20(8-9-21)12-13-4-2-1-3-5-13/h1-7,11,21H,8-10,12H2,(H2,19,22)
InChIKeyLGWMZOFPPZAGCS-UHFFFAOYSA-N
XLogP1.85
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-amino-4-[benzyl(2-hydroxyethyl)amino]phenyl]acetic acid
CID 165453038
2-(2-amino-N-benzyl-5-bromo-4-fluoroanilino)ethanol
CID 116735819
2-[benzyl(2-hydroxyethyl)amino]-6-fluorobenzenecarbothioamide
CID 79517544
N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 110018858
2-(2-amino-N-benzyl-5-chloroanilino)ethanol
CID 115468874
3-[benzyl(2-hydroxyethyl)amino]-5-fluorobenzaldehyde
CID 106529226
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol
CID 113222214
2-(N-benzyl-3-fluoro-5-nitroanilino)ethanol
CID 62114771
2-[4-fluoro-2-(2-fluorophenyl)phenyl]acetamide
CID 46212372
3-(N-benzyl-2,4-difluoroanilino)-2-methylpropanoic acid
CID 82317344
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
CID 141277151

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide?
The IUPAC name of 2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide (CID 140564775) is 2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide.
What is the SMILES notation for 2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide?
The canonical SMILES for 2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide is NC(=O)Cc1ccc(F)cc1N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide?
The InChIKey is LGWMZOFPPZAGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-15-7-6-14(10-17(19)22)16(11-15)20(8-9-21)12-13-4-2-1-3-5-13/h1-7,11,21H,8-10,12H2,(H2,19,22).
What are the key properties of 2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide?
2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide has a molecular weight of 302.35 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 140564775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).