1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone

C10H11ClFNO — CID 84784327

IUPAC1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(F)c(Cl)cc1C
InChIInChI=1S/C10H11ClFNO/c1-6-3-8(11)9(12)4-7(6)10(14)5-13-2/h3-4,13H,5H2,1-2H3
InChIKeyIIFLVQRIQBWXQX-UHFFFAOYSA-N
MW215.65 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone

1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone (PubChem CID 84784327) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
PubChem CID84784327
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(F)c(Cl)cc1C
InChIInChI=1S/C10H11ClFNO/c1-6-3-8(11)9(12)4-7(6)10(14)5-13-2/h3-4,13H,5H2,1-2H3
InChIKeyIIFLVQRIQBWXQX-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84787100
1-(4-chloro-2,3,5-trifluorophenyl)-2-(methylamino)ethanone
CID 117108354
1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone
CID 117414294
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
1-(4-bromo-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84807262
1-(5-bromo-2-chloro-3-fluorophenyl)-2-(methylamino)ethanone
CID 117450498
1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone
CID 84695079
1-(4-bromo-5-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84805710
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 84811946
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone (CID 84784327) is 1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(F)c(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is IIFLVQRIQBWXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-6-3-8(11)9(12)4-7(6)10(14)5-13-2/h3-4,13H,5H2,1-2H3.
What are the key properties of 1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone?
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 215.65 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84784327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).