1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one

C17H17BrFNO — CID 63482091

IUPAC1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one
SMILESCCN(CCC(=O)c1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C17H17BrFNO/c1-2-20(14-7-5-6-13(19)12-14)11-10-17(21)15-8-3-4-9-16(15)18/h3-9,12H,2,10-11H2,1H3
InChIKeySBMVNMCBOVQMQU-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.69
Rot. Bonds6

About 1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one

1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one (PubChem CID 63482091) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one
PubChem CID63482091
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one
SMILESCCN(CCC(=O)c1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C17H17BrFNO/c1-2-20(14-7-5-6-13(19)12-14)11-10-17(21)15-8-3-4-9-16(15)18/h3-9,12H,2,10-11H2,1H3
InChIKeySBMVNMCBOVQMQU-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one?
The IUPAC name of 1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one (CID 63482091) is 1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one?
The canonical SMILES for 1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one is CCN(CCC(=O)c1ccccc1Br)c1cccc(F)c1.
What is the InChIKey of 1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one?
The InChIKey is SBMVNMCBOVQMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-2-20(14-7-5-6-13(19)12-14)11-10-17(21)15-8-3-4-9-16(15)18/h3-9,12H,2,10-11H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one?
1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one has a molecular weight of 350.23 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one is sourced from PubChem (CID 63482091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).