4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide

C15H13BrFNO — CID 8636623

IUPAC4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO/c16-13-7-5-12(6-8-13)15(19)18-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,18,19)
InChIKeyHRDXWSYLWUSXBR-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.56
Rot. Bonds4

About 4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide

4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide (PubChem CID 8636623) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
PubChem CID8636623
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO/c16-13-7-5-12(6-8-13)15(19)18-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,18,19)
InChIKeyHRDXWSYLWUSXBR-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 8643346
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 81306937
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide
CID 35613683
4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide
CID 108900107
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide (CID 8636623) is 4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide is O=C(NCCc1ccccc1F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide?
The InChIKey is HRDXWSYLWUSXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-13-7-5-12(6-8-13)15(19)18-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,18,19).
What are the key properties of 4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide?
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide has a molecular weight of 322.18 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 8636623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).