3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide

C22H19FN2O2 — CID 1302375

IUPAC3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H19FN2O2/c23-19-11-9-16(10-12-19)13-14-24-21(26)18-7-4-8-20(15-18)25-22(27)17-5-2-1-3-6-17/h1-12,15H,13-14H2,(H,24,26)(H,25,27)
InChIKeyODKGJTYDHWAYSA-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.05
Rot. Bonds6

About 3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide

3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 1302375) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID1302375
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H19FN2O2/c23-19-11-9-16(10-12-19)13-14-24-21(26)18-7-4-8-20(15-18)25-22(27)17-5-2-1-3-6-17/h1-12,15H,13-14H2,(H,24,26)(H,25,27)
InChIKeyODKGJTYDHWAYSA-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 1302375) is 3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide is O=C(NCCc1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is ODKGJTYDHWAYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-19-11-9-16(10-12-19)13-14-24-21(26)18-7-4-8-20(15-18)25-22(27)17-5-2-1-3-6-17/h1-12,15H,13-14H2,(H,24,26)(H,25,27).
What are the key properties of 3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide?
3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 362.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 1302375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).