4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide

C16H13BrFNO2 — CID 1341281

IUPAC4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13BrFNO2/c17-12-3-1-11(2-4-12)15(20)9-10-16(21)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21)
InChIKeyDUPVXURURJAGJL-UHFFFAOYSA-N
MW350.19 g/mol
LogP4.19
Rot. Bonds5

About 4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide

4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 1341281) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
PubChem CID1341281
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Name4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13BrFNO2/c17-12-3-1-11(2-4-12)15(20)9-10-16(21)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21)
InChIKeyDUPVXURURJAGJL-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide (CID 1341281) is 4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is DUPVXURURJAGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c17-12-3-1-11(2-4-12)15(20)9-10-16(21)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21).
What are the key properties of 4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide?
4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 350.19 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 1341281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).