N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide

C16H17FN2O2 — CID 103948345

IUPACN-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide
SMILESO=C(CNCc1cc(F)ccc1O)NCc1ccccc1
InChIInChI=1S/C16H17FN2O2/c17-14-6-7-15(20)13(8-14)10-18-11-16(21)19-9-12-4-2-1-3-5-12/h1-8,18,20H,9-11H2,(H,19,21)
InChIKeyRMJMLEZFXDMZSH-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.94
Rot. Bonds6

About N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide

N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide (PubChem CID 103948345) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide
PubChem CID103948345
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide
SMILESO=C(CNCc1cc(F)ccc1O)NCc1ccccc1
InChIInChI=1S/C16H17FN2O2/c17-14-6-7-15(20)13(8-14)10-18-11-16(21)19-9-12-4-2-1-3-5-12/h1-8,18,20H,9-11H2,(H,19,21)
InChIKeyRMJMLEZFXDMZSH-UHFFFAOYSA-N
XLogP1.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[(2-chloro-5-fluorophenyl)methylamino]acetamide
CID 102615525
N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
CID 63324909
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560
N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide
CID 61317882
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
CID 62475319
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide (CID 103948345) is N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide is O=C(CNCc1cc(F)ccc1O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide?
The InChIKey is RMJMLEZFXDMZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-14-6-7-15(20)13(8-14)10-18-11-16(21)19-9-12-4-2-1-3-5-12/h1-8,18,20H,9-11H2,(H,19,21).
What are the key properties of N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide?
N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide has a molecular weight of 288.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide is sourced from PubChem (CID 103948345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).