5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide

C15H16FN3O — CID 61307952

IUPAC5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
SMILESNC(=O)c1cc(N)ccc1NCCc1ccccc1F
InChIInChI=1S/C15H16FN3O/c16-13-4-2-1-3-10(13)7-8-19-14-6-5-11(17)9-12(14)15(18)20/h1-6,9,19H,7-8,17H2,(H2,18,20)
InChIKeyIQIPYPURVUSFHA-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.16
Rot. Bonds5

About 5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide

5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide (PubChem CID 61307952) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
PubChem CID61307952
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
SMILESNC(=O)c1cc(N)ccc1NCCc1ccccc1F
InChIInChI=1S/C15H16FN3O/c16-13-4-2-1-3-10(13)7-8-19-14-6-5-11(17)9-12(14)15(18)20/h1-6,9,19H,7-8,17H2,(H2,18,20)
InChIKeyIQIPYPURVUSFHA-UHFFFAOYSA-N
XLogP2.16
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
CID 28903455
1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900021
5-amino-2-(2-thiophen-3-ylethylamino)benzamide
CID 61475711
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
5-amino-2-(2-ethylanilino)benzamide
CID 61306914
5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 63330742
4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000150
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106106264
1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041150
2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide
CID 114893954

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide?
The IUPAC name of 5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide (CID 61307952) is 5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide.
What is the SMILES notation for 5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide?
The canonical SMILES for 5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide is NC(=O)c1cc(N)ccc1NCCc1ccccc1F.
What is the InChIKey of 5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide?
The InChIKey is IQIPYPURVUSFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-13-4-2-1-3-10(13)7-8-19-14-6-5-11(17)9-12(14)15(18)20/h1-6,9,19H,7-8,17H2,(H2,18,20).
What are the key properties of 5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide?
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide is sourced from PubChem (CID 61307952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).