3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide

C15H15FN2O3 — CID 43701132

IUPAC3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)c1cc(O)ccc1O
InChIInChI=1S/C15H15FN2O3/c1-8(11-7-10(19)3-5-14(11)20)18-13-6-9(15(17)21)2-4-12(13)16/h2-8,18-20H,1H3,(H2,17,21)
InChIKeyXJOKDKXVOWFCNM-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.51
Rot. Bonds4

About 3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide

3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide (PubChem CID 43701132) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
PubChem CID43701132
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)c1cc(O)ccc1O
InChIInChI=1S/C15H15FN2O3/c1-8(11-7-10(19)3-5-14(11)20)18-13-6-9(15(17)21)2-4-12(13)16/h2-8,18-20H,1H3,(H2,17,21)
InChIKeyXJOKDKXVOWFCNM-UHFFFAOYSA-N
XLogP2.51
TPSA95.58 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 ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-chloro-2-fluoroanilino)ethyl]benzene-1,4-diol
CID 43438338
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide
CID 82778357
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
2-[1-(2,3,5,6-tetrafluoroanilino)ethyl]benzene-1,4-diol
CID 107644082
4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
CID 43701049
4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43701200
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812
5-[1-(2,5-dihydroxyphenyl)ethylamino]-2-fluorobenzoic acid
CID 43727942
4-fluoro-3-[1-(2-hydroxy-4-methylphenyl)ethylamino]benzoic acid
CID 43728017
2-[1-(3,4,5-trifluoroanilino)ethyl]benzene-1,4-diol
CID 62809500

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide?
The IUPAC name of 3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide (CID 43701132) is 3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide.
What is the SMILES notation for 3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide?
The canonical SMILES for 3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide is CC(Nc1cc(C(N)=O)ccc1F)c1cc(O)ccc1O.
What is the InChIKey of 3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide?
The InChIKey is XJOKDKXVOWFCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-8(11-7-10(19)3-5-14(11)20)18-13-6-9(15(17)21)2-4-12(13)16/h2-8,18-20H,1H3,(H2,17,21).
What are the key properties of 3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide?
3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide has a molecular weight of 290.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide is sourced from PubChem (CID 43701132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).