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

C15H13ClFNO — CID 103042493

IUPAC1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(F)c(Cl)c2)cc1N
InChIInChI=1S/C15H13ClFNO/c1-9-2-4-11(8-14(9)18)15(19)7-10-3-5-13(17)12(16)6-10/h2-6,8H,7,18H2,1H3
InChIKeyVDSQNWGUAUSUJI-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.80
Rot. Bonds3

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

1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone (PubChem CID 103042493) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
PubChem CID103042493
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(F)c(Cl)c2)cc1N
InChIInChI=1S/C15H13ClFNO/c1-9-2-4-11(8-14(9)18)15(19)7-10-3-5-13(17)12(16)6-10/h2-6,8H,7,18H2,1H3
InChIKeyVDSQNWGUAUSUJI-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-(5-chloro-2-fluorophenyl)ethanone
CID 103052274
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866
1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 116550897
2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129670
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 103042833

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone (CID 103042493) is 1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone is Cc1ccc(C(=O)Cc2ccc(F)c(Cl)c2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone?
The InChIKey is VDSQNWGUAUSUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-9-2-4-11(8-14(9)18)15(19)7-10-3-5-13(17)12(16)6-10/h2-6,8H,7,18H2,1H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone?
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-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-(3-chloro-4-fluorophenyl)ethanone is sourced from PubChem (CID 103042493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).