N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide

C20H13ClFNO2 — CID 2727985

IUPACN-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide
SMILESO=C(c1ccccc1)c1cccc(NC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C20H13ClFNO2/c21-16-10-5-11-17(22)18(16)20(25)23-15-9-4-8-14(12-15)19(24)13-6-2-1-3-7-13/h1-12H,(H,23,25)
InChIKeyOMRGNGBWGMTOIS-UHFFFAOYSA-N
MW353.78 g/mol
LogP4.96
Rot. Bonds4

About N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide

N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide (PubChem CID 2727985) has the molecular formula C20H13ClFNO2 and a molecular weight of 353.78 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide
PubChem CID2727985
Molecular FormulaC20H13ClFNO2
Molecular Weight353.78 g/mol
Exact Mass353.06
IUPAC NameN-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide
SMILESO=C(c1ccccc1)c1cccc(NC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C20H13ClFNO2/c21-16-10-5-11-17(22)18(16)20(25)23-15-9-4-8-14(12-15)19(24)13-6-2-1-3-7-13/h1-12H,(H,23,25)
InChIKeyOMRGNGBWGMTOIS-UHFFFAOYSA-N
XLogP4.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide (CID 2727985) is N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide is O=C(c1ccccc1)c1cccc(NC(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide?
The InChIKey is OMRGNGBWGMTOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO2/c21-16-10-5-11-17(22)18(16)20(25)23-15-9-4-8-14(12-15)19(24)13-6-2-1-3-7-13/h1-12H,(H,23,25).
What are the key properties of N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide?
N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide has a molecular weight of 353.78 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 2727985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).