N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide

C15H11ClFNO2 — CID 4789482

IUPACN-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFNO2/c16-12-5-1-10(2-6-12)14(19)9-18-15(20)11-3-7-13(17)8-4-11/h1-8H,9H2,(H,18,20)
InChIKeyXDJNOQDRMYAZNM-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.09
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide

N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 4789482) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide
PubChem CID4789482
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC NameN-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFNO2/c16-12-5-1-10(2-6-12)14(19)9-18-15(20)11-3-7-13(17)8-4-11/h1-8H,9H2,(H,18,20)
InChIKeyXDJNOQDRMYAZNM-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide (CID 4789482) is N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is XDJNOQDRMYAZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-12-5-1-10(2-6-12)14(19)9-18-15(20)11-3-7-13(17)8-4-11/h1-8H,9H2,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide?
N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 291.71 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 4789482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).