N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide

C17H16BrNO2 — CID 56682161

IUPACN-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H16BrNO2/c1-12(20)19-16(14-8-5-9-15(18)10-14)11-17(21)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,19,20)
InChIKeyLFJIEPKVRUAPGF-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.90
Rot. Bonds5

About N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide

N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide (PubChem CID 56682161) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide
PubChem CID56682161
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H16BrNO2/c1-12(20)19-16(14-8-5-9-15(18)10-14)11-17(21)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,19,20)
InChIKeyLFJIEPKVRUAPGF-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide (CID 56682161) is N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide is CC(=O)NC(CC(=O)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide?
The InChIKey is LFJIEPKVRUAPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-12(20)19-16(14-8-5-9-15(18)10-14)11-17(21)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,19,20).
What are the key properties of N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide?
N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide has a molecular weight of 346.22 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)-3-oxo-3-phenylpropyl]acetamide is sourced from PubChem (CID 56682161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).