1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone

C14H12Cl2FNOS — CID 63566126

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone
SMILESCCN(CC(=O)c1cc(Cl)sc1Cl)c1ccccc1F
InChIInChI=1S/C14H12Cl2FNOS/c1-2-18(11-6-4-3-5-10(11)17)8-12(19)9-7-13(15)20-14(9)16/h3-7H,2,8H2,1H3
InChIKeyCZGFLQMKZCCJDX-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.90
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone (PubChem CID 63566126) has the molecular formula C14H12Cl2FNOS and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone
PubChem CID63566126
Molecular FormulaC14H12Cl2FNOS
Molecular Weight332.23 g/mol
Exact Mass331.00
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone
SMILESCCN(CC(=O)c1cc(Cl)sc1Cl)c1ccccc1F
InChIInChI=1S/C14H12Cl2FNOS/c1-2-18(11-6-4-3-5-10(11)17)8-12(19)9-7-13(15)20-14(9)16/h3-7H,2,8H2,1H3
InChIKeyCZGFLQMKZCCJDX-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228309
1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228322
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62050817
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63966848
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948907
2,5-dichloro-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 41345638
1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 62053273
1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
CID 43220079
4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
CID 82981844
2-(3-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 107967879
3-(N-ethyl-2-fluoroanilino)propanehydrazide
CID 63583064

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone (CID 63566126) is 1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone is CCN(CC(=O)c1cc(Cl)sc1Cl)c1ccccc1F.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone?
The InChIKey is CZGFLQMKZCCJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNOS/c1-2-18(11-6-4-3-5-10(11)17)8-12(19)9-7-13(15)20-14(9)16/h3-7H,2,8H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone has a molecular weight of 332.23 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone is sourced from PubChem (CID 63566126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).