2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide

C15H16FN3O2 — CID 63674488

IUPAC2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1NCC(O)c1ccc(N)cc1
InChIInChI=1S/C15H16FN3O2/c16-10-3-6-13(12(7-10)15(18)21)19-8-14(20)9-1-4-11(17)5-2-9/h1-7,14,19-20H,8,17H2,(H2,18,21)
InChIKeySNCJJLTZFXMNGC-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.65
Rot. Bonds5

About 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide

2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide (PubChem CID 63674488) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide
PubChem CID63674488
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1NCC(O)c1ccc(N)cc1
InChIInChI=1S/C15H16FN3O2/c16-10-3-6-13(12(7-10)15(18)21)19-8-14(20)9-1-4-11(17)5-2-9/h1-7,14,19-20H,8,17H2,(H2,18,21)
InChIKeySNCJJLTZFXMNGC-UHFFFAOYSA-N
XLogP1.65
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide?
The IUPAC name of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide (CID 63674488) is 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide.
What is the SMILES notation for 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide?
The canonical SMILES for 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide is NC(=O)c1cc(F)ccc1NCC(O)c1ccc(N)cc1.
What is the InChIKey of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide?
The InChIKey is SNCJJLTZFXMNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-10-3-6-13(12(7-10)15(18)21)19-8-14(20)9-1-4-11(17)5-2-9/h1-7,14,19-20H,8,17H2,(H2,18,21).
What are the key properties of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide?
2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide has a molecular weight of 289.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-5-fluorobenzamide is sourced from PubChem (CID 63674488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).