N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide

C15H15FN2O3 — CID 43672553

IUPACN-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccc(O)c(O)c2)c1
InChIInChI=1S/C15H15FN2O3/c1-9(19)18-11-3-4-12(16)13(7-11)17-8-10-2-5-14(20)15(21)6-10/h2-7,17,20-21H,8H2,1H3,(H,18,19)
InChIKeyOGXPEAHQHKRROZ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.81
Rot. Bonds4

About N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide

N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide (PubChem CID 43672553) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
PubChem CID43672553
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccc(O)c(O)c2)c1
InChIInChI=1S/C15H15FN2O3/c1-9(19)18-11-3-4-12(16)13(7-11)17-8-10-2-5-14(20)15(21)6-10/h2-7,17,20-21H,8H2,1H3,(H,18,19)
InChIKeyOGXPEAHQHKRROZ-UHFFFAOYSA-N
XLogP2.81
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
4-[(2-fluoro-5-methylanilino)methyl]benzene-1,2-diol
CID 28968371
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647
N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
CID 60961965
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
CID 62966369
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199133
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 81311947
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide (CID 43672553) is N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NCc2ccc(O)c(O)c2)c1.
What is the InChIKey of N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide?
The InChIKey is OGXPEAHQHKRROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9(19)18-11-3-4-12(16)13(7-11)17-8-10-2-5-14(20)15(21)6-10/h2-7,17,20-21H,8H2,1H3,(H,18,19).
What are the key properties of N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide?
N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide has a molecular weight of 290.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 43672553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).