N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide

C16H13BrFNO2 — CID 2354547

IUPACN-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C16H13BrFNO2/c17-12-2-1-3-14(10-12)19-16(21)9-8-15(20)11-4-6-13(18)7-5-11/h1-7,10H,8-9H2,(H,19,21)
InChIKeyUOYYSQDPORYIEN-UHFFFAOYSA-N
MW350.19 g/mol
LogP4.19
Rot. Bonds5

About N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 2354547) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID2354547
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC NameN-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C16H13BrFNO2/c17-12-2-1-3-14(10-12)19-16(21)9-8-15(20)11-4-6-13(18)7-5-11/h1-7,10H,8-9H2,(H,19,21)
InChIKeyUOYYSQDPORYIEN-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 N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 2354547) is N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is UOYYSQDPORYIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c17-12-2-1-3-14(10-12)19-16(21)9-8-15(20)11-4-6-13(18)7-5-11/h1-7,10H,8-9H2,(H,19,21).
What are the key properties of N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(3-bromophenyl)-4-(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 N-(3-bromophenyl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 2354547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).