N-(2-aminoethyl)-3-fluorobenzamide

C9H11FN2O — CID 14977543

IUPACN-(2-aminoethyl)-3-fluorobenzamide
SMILESNCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C9H11FN2O/c10-8-3-1-2-7(6-8)9(13)12-5-4-11/h1-3,6H,4-5,11H2,(H,12,13)
InChIKeyWXTZNHBYJDJCNB-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.51
Rot. Bonds3

About N-(2-aminoethyl)-3-fluorobenzamide

N-(2-aminoethyl)-3-fluorobenzamide (PubChem CID 14977543) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-fluorobenzamide
PubChem CID14977543
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC NameN-(2-aminoethyl)-3-fluorobenzamide
SMILESNCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C9H11FN2O/c10-8-3-1-2-7(6-8)9(13)12-5-4-11/h1-3,6H,4-5,11H2,(H,12,13)
InChIKeyWXTZNHBYJDJCNB-UHFFFAOYSA-N
XLogP0.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-fluorobenzamide?
The IUPAC name of N-(2-aminoethyl)-3-fluorobenzamide (CID 14977543) is N-(2-aminoethyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-fluorobenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-fluorobenzamide is NCCNC(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-aminoethyl)-3-fluorobenzamide?
The InChIKey is WXTZNHBYJDJCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-8-3-1-2-7(6-8)9(13)12-5-4-11/h1-3,6H,4-5,11H2,(H,12,13).
What are the key properties of N-(2-aminoethyl)-3-fluorobenzamide?
N-(2-aminoethyl)-3-fluorobenzamide has a molecular weight of 182.20 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-fluorobenzamide is sourced from PubChem (CID 14977543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).