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

C9H9ClFNO — CID 130953142

IUPAC2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
SMILESCc1cc(C(=O)CN)c(F)cc1Cl
InChIInChI=1S/C9H9ClFNO/c1-5-2-6(9(13)4-12)8(11)3-7(5)10/h2-3H,4,12H2,1H3
InChIKeyJHRGCMOJYRSBHJ-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.93
Rot. Bonds2

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

2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone (PubChem CID 130953142) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
PubChem CID130953142
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
SMILESCc1cc(C(=O)CN)c(F)cc1Cl
InChIInChI=1S/C9H9ClFNO/c1-5-2-6(9(13)4-12)8(11)3-7(5)10/h2-3H,4,12H2,1H3
InChIKeyJHRGCMOJYRSBHJ-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone
CID 117364606
3-amino-1-(4-chloro-2,5-difluorophenyl)propan-1-one
CID 84787105
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-amino-1-(2-chloro-5-methylphenyl)ethanone
CID 83696787
(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone
CID 10515712
2-amino-1-(3-chloro-2,4,5-trifluorophenyl)ethanone
CID 117115593
2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone
CID 117299466
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone (CID 130953142) is 2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone is Cc1cc(C(=O)CN)c(F)cc1Cl.
What is the InChIKey of 2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone?
The InChIKey is JHRGCMOJYRSBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-5-2-6(9(13)4-12)8(11)3-7(5)10/h2-3H,4,12H2,1H3.
What are the key properties of 2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone?
2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone has a molecular weight of 201.63 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone is sourced from PubChem (CID 130953142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).