5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide

C21H17BrFNO2 — CID 17046174

IUPAC5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccccc1F)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C21H17BrFNO2/c22-16-10-11-20(26-13-12-15-6-2-1-3-7-15)17(14-16)21(25)24-19-9-5-4-8-18(19)23/h1-11,14H,12-13H2,(H,24,25)
InChIKeyVRPMNWASZPZRDL-UHFFFAOYSA-N
MW414.27 g/mol
LogP5.46
Rot. Bonds6

About 5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide

5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide (PubChem CID 17046174) has the molecular formula C21H17BrFNO2 and a molecular weight of 414.27 g/mol. Its IUPAC name is 5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
PubChem CID17046174
Molecular FormulaC21H17BrFNO2
Molecular Weight414.27 g/mol
Exact Mass413.04
IUPAC Name5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccccc1F)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C21H17BrFNO2/c22-16-10-11-20(26-13-12-15-6-2-1-3-7-15)17(14-16)21(25)24-19-9-5-4-8-18(19)23/h1-11,14H,12-13H2,(H,24,25)
InChIKeyVRPMNWASZPZRDL-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.27
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17046139
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
5-bromo-2-(2-phenylethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17131629
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide (CID 17046174) is 5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide is O=C(Nc1ccccc1F)c1cc(Br)ccc1OCCc1ccccc1.
What is the InChIKey of 5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide?
The InChIKey is VRPMNWASZPZRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFNO2/c22-16-10-11-20(26-13-12-15-6-2-1-3-7-15)17(14-16)21(25)24-19-9-5-4-8-18(19)23/h1-11,14H,12-13H2,(H,24,25).
What are the key properties of 5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide?
5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide has a molecular weight of 414.27 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17046174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).