2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide

C23H20ClFN2O2 — CID 16547944

IUPAC2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C23H20ClFN2O2/c24-19-10-6-11-20(25)18(19)15-22(28)27-21-12-5-4-9-17(21)23(29)26-14-13-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,26,29)(H,27,28)
InChIKeyKJWWNUWHJIBAMB-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.63
Rot. Bonds7

About 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide

2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 16547944) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID16547944
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C23H20ClFN2O2/c24-19-10-6-11-20(25)18(19)15-22(28)27-21-12-5-4-9-17(21)23(29)26-14-13-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,26,29)(H,27,28)
InChIKeyKJWWNUWHJIBAMB-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide (CID 16547944) is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide is O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is KJWWNUWHJIBAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c24-19-10-6-11-20(25)18(19)15-22(28)27-21-12-5-4-9-17(21)23(29)26-14-13-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 410.88 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 16547944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).