1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone

C15H13F2NO — CID 43227426

IUPAC1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C15H13F2NO/c1-18(12-5-3-2-4-6-12)10-15(19)13-9-11(16)7-8-14(13)17/h2-9H,10H2,1H3
InChIKeyCWHWMKNAHOKDBN-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.28
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone

1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone (PubChem CID 43227426) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone
PubChem CID43227426
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C15H13F2NO/c1-18(12-5-3-2-4-6-12)10-15(19)13-9-11(16)7-8-14(13)17/h2-9H,10H2,1H3
InChIKeyCWHWMKNAHOKDBN-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680875
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
CID 60650523
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43794443
1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
CID 43227438
1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206765
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577
1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43138932
1-(2,5-difluorophenyl)-3-methylbut-3-en-1-one
CID 79177351
2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
CID 116595920
1-(2,5-difluorophenyl)but-3-yn-1-one
CID 63661122
3-(2,5-difluorophenyl)-3-oxopropanal
CID 43114709
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone (CID 43227426) is 1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone is CN(CC(=O)c1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone?
The InChIKey is CWHWMKNAHOKDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-18(12-5-3-2-4-6-12)10-15(19)13-9-11(16)7-8-14(13)17/h2-9H,10H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone?
1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone has a molecular weight of 261.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone is sourced from PubChem (CID 43227426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).