1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone

C16H15BrFNO — CID 63566302

IUPAC1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
SMILESCCN(CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO/c1-2-19(15-9-7-14(18)8-10-15)11-16(20)12-3-5-13(17)6-4-12/h3-10H,2,11H2,1H3
InChIKeyWEUVQOUTJXFJDL-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.30
Rot. Bonds5

About 1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone

1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone (PubChem CID 63566302) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
PubChem CID63566302
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
SMILESCCN(CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO/c1-2-19(15-9-7-14(18)8-10-15)11-16(20)12-3-5-13(17)6-4-12/h3-10H,2,11H2,1H3
InChIKeyWEUVQOUTJXFJDL-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone
CID 63567726
N,N-diethyl-4-fluoroaniline
CID 592416
1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566838
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(4-fluorophenyl)ethanone
CID 45135393
2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 43795952
2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78826759
2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone
CID 4751711
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
(Z)-3-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 122707390

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone (CID 63566302) is 1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone is CCN(CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone?
The InChIKey is WEUVQOUTJXFJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-2-19(15-9-7-14(18)8-10-15)11-16(20)12-3-5-13(17)6-4-12/h3-10H,2,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone?
1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone has a molecular weight of 336.20 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone is sourced from PubChem (CID 63566302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).