2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide

C15H12BrFN2O2 — CID 26578993

IUPAC2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)Nc1cccc(F)c1
InChIInChI=1S/C15H12BrFN2O2/c16-13-7-2-1-6-12(13)15(21)18-9-14(20)19-11-5-3-4-10(17)8-11/h1-8H,9H2,(H,18,21)(H,19,20)
InChIKeyMGALZDTWIMXDIS-UHFFFAOYSA-N
MW351.18 g/mol
LogP2.96
Rot. Bonds4

About 2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide

2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide (PubChem CID 26578993) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
PubChem CID26578993
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)Nc1cccc(F)c1
InChIInChI=1S/C15H12BrFN2O2/c16-13-7-2-1-6-12(13)15(21)18-9-14(20)19-11-5-3-4-10(17)8-11/h1-8H,9H2,(H,18,21)(H,19,20)
InChIKeyMGALZDTWIMXDIS-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
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CID 49335487
N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 55869846
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
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2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
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N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
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CID 532187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide (CID 26578993) is 2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Br)Nc1cccc(F)c1.
What is the InChIKey of 2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
The InChIKey is MGALZDTWIMXDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-13-7-2-1-6-12(13)15(21)18-9-14(20)19-11-5-3-4-10(17)8-11/h1-8H,9H2,(H,18,21)(H,19,20).
What are the key properties of 2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide?
2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide has a molecular weight of 351.18 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 26578993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).