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

C15H11BrFNO2 — CID 2798239

IUPACN-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrFNO2/c16-11-7-5-10(6-8-11)14(19)9-18-15(20)12-3-1-2-4-13(12)17/h1-8H,9H2,(H,18,20)
InChIKeyBLWBTLOWCRAKAN-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.20
Rot. Bonds4

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

N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 2798239) has the molecular formula C15H11BrFNO2 and a molecular weight of 336.16 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
PubChem CID2798239
Molecular FormulaC15H11BrFNO2
Molecular Weight336.16 g/mol
Exact Mass335.00
IUPAC NameN-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrFNO2/c16-11-7-5-10(6-8-11)14(19)9-18-15(20)12-3-1-2-4-13(12)17/h1-8H,9H2,(H,18,20)
InChIKeyBLWBTLOWCRAKAN-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide (CID 2798239) is N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide is O=C(CNC(=O)c1ccccc1F)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is BLWBTLOWCRAKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO2/c16-11-7-5-10(6-8-11)14(19)9-18-15(20)12-3-1-2-4-13(12)17/h1-8H,9H2,(H,18,20).
What are the key properties of N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide?
N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 336.16 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 2798239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).