4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide

C20H18FN3O — CID 16666062

IUPAC4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O/c1-13(22)18-7-4-15(20(25)24-17-8-10-23-11-9-17)12-19(18)14-2-5-16(21)6-3-14/h2-13H,22H2,1H3,(H,23,24,25)
InChIKeyJJNXXPMAFUVGRU-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.16
Rot. Bonds4

About 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide

4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide (PubChem CID 16666062) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
PubChem CID16666062
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O/c1-13(22)18-7-4-15(20(25)24-17-8-10-23-11-9-17)12-19(18)14-2-5-16(21)6-3-14/h2-13H,22H2,1H3,(H,23,24,25)
InChIKeyJJNXXPMAFUVGRU-UHFFFAOYSA-N
XLogP4.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide (CID 16666062) is 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide is CC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide?
The InChIKey is JJNXXPMAFUVGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13(22)18-7-4-15(20(25)24-17-8-10-23-11-9-17)12-19(18)14-2-5-16(21)6-3-14/h2-13H,22H2,1H3,(H,23,24,25).
What are the key properties of 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide?
4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide has a molecular weight of 335.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 16666062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).