2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide

C15H16FN3O2 — CID 63673977

IUPAC2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1NCCOc1ccccc1N
InChIInChI=1S/C15H16FN3O2/c16-10-5-6-13(11(9-10)15(18)20)19-7-8-21-14-4-2-1-3-12(14)17/h1-6,9,19H,7-8,17H2,(H2,18,20)
InChIKeyZRLUZFRCZPPUTM-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.00
Rot. Bonds6

About 2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide

2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide (PubChem CID 63673977) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide
PubChem CID63673977
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1NCCOc1ccccc1N
InChIInChI=1S/C15H16FN3O2/c16-10-5-6-13(11(9-10)15(18)20)19-7-8-21-14-4-2-1-3-12(14)17/h1-6,9,19H,7-8,17H2,(H2,18,20)
InChIKeyZRLUZFRCZPPUTM-UHFFFAOYSA-N
XLogP2.00
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropylamino)-5-fluorobenzamide
CID 63674481
2-(2-carbamothioyl-4-fluoroanilino)ethyl carbamate
CID 83205178
2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide
CID 62497017
5-fluoro-2-[2-(methylamino)ethoxy]benzamide
CID 63675006
4-(2-carbamoyl-4-fluoroanilino)-2,2-dimethylbutanoic acid
CID 114285529
2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
CID 63673130
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
2-amino-5-fluorobenzoic acid;5-fluoro-2-[2-(trifluoromethoxy)ethylamino]benzoic acid
CID 159735628
5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
CID 63672707
2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide
CID 47027239
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide?
The IUPAC name of 2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide (CID 63673977) is 2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide.
What is the SMILES notation for 2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide?
The canonical SMILES for 2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide is NC(=O)c1cc(F)ccc1NCCOc1ccccc1N.
What is the InChIKey of 2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide?
The InChIKey is ZRLUZFRCZPPUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-10-5-6-13(11(9-10)15(18)20)19-7-8-21-14-4-2-1-3-12(14)17/h1-6,9,19H,7-8,17H2,(H2,18,20).
What are the key properties of 2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide?
2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide is sourced from PubChem (CID 63673977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).