2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide

C21H15ClFNO3 — CID 1218544

IUPAC2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide
SMILESO=C(COc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C21H15ClFNO3/c22-19-7-2-1-6-18(19)21(26)24-16-4-3-5-17(12-16)27-13-20(25)14-8-10-15(23)11-9-14/h1-12H,13H2,(H,24,26)
InChIKeyGDGVSOXPYHIBIS-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.99
Rot. Bonds6

About 2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide

2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide (PubChem CID 1218544) has the molecular formula C21H15ClFNO3 and a molecular weight of 383.81 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide
PubChem CID1218544
Molecular FormulaC21H15ClFNO3
Molecular Weight383.81 g/mol
Exact Mass383.07
IUPAC Name2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide
SMILESO=C(COc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C21H15ClFNO3/c22-19-7-2-1-6-18(19)21(26)24-16-4-3-5-17(12-16)27-13-20(25)14-8-10-15(23)11-9-14/h1-12H,13H2,(H,24,26)
InChIKeyGDGVSOXPYHIBIS-UHFFFAOYSA-N
XLogP4.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide (CID 1218544) is 2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide is O=C(COc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is GDGVSOXPYHIBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFNO3/c22-19-7-2-1-6-18(19)21(26)24-16-4-3-5-17(12-16)27-13-20(25)14-8-10-15(23)11-9-14/h1-12H,13H2,(H,24,26).
What are the key properties of 2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide?
2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 383.81 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 1218544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).