(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone

C16H15BrFNO2 — CID 103298335

IUPAC(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C16H15BrFNO2/c1-3-21-14-5-4-10(17)7-12(14)16(20)13-8-11(19)6-9(2)15(13)18/h4-8H,3,19H2,1-2H3
InChIKeyXEVJOBLCTIXBQU-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.11
Rot. Bonds4

About (5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone

(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone (PubChem CID 103298335) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
PubChem CID103298335
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C16H15BrFNO2/c1-3-21-14-5-4-10(17)7-12(14)16(20)13-8-11(19)6-9(2)15(13)18/h4-8H,3,19H2,1-2H3
InChIKeyXEVJOBLCTIXBQU-UHFFFAOYSA-N
XLogP4.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.11
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

(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 107874153
(4-bromo-2-ethoxycarbonylphenyl) 5-bromo-2-ethoxybenzoate
CID 23012871
(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 103298347
(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919039
(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096153
(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463855
5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 103295994
(5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 103298336
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 103298331
5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 103296247
1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone
CID 82051142
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone (CID 103298335) is (5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone is CCOc1ccc(Br)cc1C(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone?
The InChIKey is XEVJOBLCTIXBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-3-21-14-5-4-10(17)7-12(14)16(20)13-8-11(19)6-9(2)15(13)18/h4-8H,3,19H2,1-2H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone?
(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone has a molecular weight of 352.20 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone is sourced from PubChem (CID 103298335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).