1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone

C15H13ClFNO2 — CID 114863532

IUPAC1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone
SMILESCOc1ccc(N)c(C(=O)Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H13ClFNO2/c1-20-11-4-5-14(18)12(8-11)15(19)6-9-2-3-10(16)7-13(9)17/h2-5,7-8H,6,18H2,1H3
InChIKeyKADGJSHLVKLLOQ-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.50
Rot. Bonds4

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

1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone (PubChem CID 114863532) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone
PubChem CID114863532
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone
SMILESCOc1ccc(N)c(C(=O)Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H13ClFNO2/c1-20-11-4-5-14(18)12(8-11)15(19)6-9-2-3-10(16)7-13(9)17/h2-5,7-8H,6,18H2,1H3
InChIKeyKADGJSHLVKLLOQ-UHFFFAOYSA-N
XLogP3.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 62197226
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879929
2-(4-chloro-2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 56920149
1-(2-amino-5-methoxyphenyl)-3-methylbutan-1-one
CID 83987880
1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone
CID 159564102
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 107538110
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone (CID 114863532) is 1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone is COc1ccc(N)c(C(=O)Cc2ccc(Cl)cc2F)c1.
What is the InChIKey of 1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone?
The InChIKey is KADGJSHLVKLLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-20-11-4-5-14(18)12(8-11)15(19)6-9-2-3-10(16)7-13(9)17/h2-5,7-8H,6,18H2,1H3.
What are the key properties of 1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone?
1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone has a molecular weight of 293.73 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 114863532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).