1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone

C9H9ClFNO — CID 171018097

IUPAC1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone
SMILESCc1cc(N)c(F)cc1C(=O)CCl
InChIInChI=1S/C9H9ClFNO/c1-5-2-8(12)7(11)3-6(5)9(13)4-10/h2-3H,4,12H2,1H3
InChIKeyZHPBOSIUUDXZCG-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.14
Rot. Bonds2

About 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone

1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone (PubChem CID 171018097) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone
PubChem CID171018097
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone
SMILESCc1cc(N)c(F)cc1C(=O)CCl
InChIInChI=1S/C9H9ClFNO/c1-5-2-8(12)7(11)3-6(5)9(13)4-10/h2-3H,4,12H2,1H3
InChIKeyZHPBOSIUUDXZCG-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-2-bromo-5-fluorophenyl)-2-chloroethanone
CID 171016614
1-(5-amino-2-methylphenyl)-2-chloroethanone
CID 88924641
2-amino-4-(2-chloroacetyl)-5-methylbenzonitrile
CID 171013585
1-(5-amino-2-methyl-4-nitrophenyl)-2-chloroethanone
CID 171023447
1-(2-amino-6-fluoro-4-methylphenyl)-2-chloroethanone
CID 171018223
2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
CID 91755197
2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone
CID 171002229
1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
CID 131292332
1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane
CID 142097721
1-(2-amino-5-bromo-4-fluorophenyl)-2-chloroethanone
CID 167472486
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone?
The IUPAC name of 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone (CID 171018097) is 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone.
What is the SMILES notation for 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone?
The canonical SMILES for 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone is Cc1cc(N)c(F)cc1C(=O)CCl.
What is the InChIKey of 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone?
The InChIKey is ZHPBOSIUUDXZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-5-2-8(12)7(11)3-6(5)9(13)4-10/h2-3H,4,12H2,1H3.
What are the key properties of 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone?
1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone has a molecular weight of 201.63 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone is sourced from PubChem (CID 171018097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).