N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide

C16H14BrFN2O2 — CID 2991219

IUPACN-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H14BrFN2O2/c1-2-15(21)19-12-6-3-10(4-7-12)16(22)20-14-8-5-11(17)9-13(14)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyVZKLXPYWMNFXHX-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.19
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide

N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide (PubChem CID 2991219) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
PubChem CID2991219
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H14BrFN2O2/c1-2-15(21)19-12-6-3-10(4-7-12)16(22)20-14-8-5-11(17)9-13(14)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyVZKLXPYWMNFXHX-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
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4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
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4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide
CID 78820007
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
CID 61090839
N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide
CID 53037661
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
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N-(4-bromo-2-fluorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2213935

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide (CID 2991219) is N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide?
The InChIKey is VZKLXPYWMNFXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-2-15(21)19-12-6-3-10(4-7-12)16(22)20-14-8-5-11(17)9-13(14)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide?
N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide has a molecular weight of 365.20 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide is sourced from PubChem (CID 2991219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).