1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone

C15H13ClFNO — CID 103052274

IUPAC1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(Cl)ccc2F)cc1N
InChIInChI=1S/C15H13ClFNO/c1-9-2-3-10(7-14(9)18)15(19)8-11-6-12(16)4-5-13(11)17/h2-7H,8,18H2,1H3
InChIKeyDCQWMYLKULYUPJ-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.80
Rot. Bonds3

About 1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone

1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone (PubChem CID 103052274) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
PubChem CID103052274
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(Cl)ccc2F)cc1N
InChIInChI=1S/C15H13ClFNO/c1-9-2-3-10(7-14(9)18)15(19)8-11-6-12(16)4-5-13(11)17/h2-7H,8,18H2,1H3
InChIKeyDCQWMYLKULYUPJ-UHFFFAOYSA-N
XLogP3.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
2-(2,5-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 65317110
1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052464
1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 116550897
1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052370
1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
(5-chloro-2-fluorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 103049423
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129670
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone (CID 103052274) is 1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone is Cc1ccc(C(=O)Cc2cc(Cl)ccc2F)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone?
The InChIKey is DCQWMYLKULYUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-9-2-3-10(7-14(9)18)15(19)8-11-6-12(16)4-5-13(11)17/h2-7H,8,18H2,1H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone?
1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone has a molecular weight of 277.73 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 103052274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).