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

C16H15Br2NO2 — CID 107874153

IUPAC(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C16H15Br2NO2/c1-3-21-15-5-4-10(17)6-13(15)16(20)12-7-11(18)8-14(19)9(12)2/h4-8H,3,19H2,1-2H3
InChIKeyXDRZYNADVQNLTE-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.73
Rot. Bonds4

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

(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone (PubChem CID 107874153) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
PubChem CID107874153
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C16H15Br2NO2/c1-3-21-15-5-4-10(17)6-13(15)16(20)12-7-11(18)8-14(19)9(12)2/h4-8H,3,19H2,1-2H3
InChIKeyXDRZYNADVQNLTE-UHFFFAOYSA-N
XLogP4.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.73
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

(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 103298335
(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096153
(4-bromo-2-ethoxycarbonylphenyl) 5-bromo-2-ethoxybenzoate
CID 23012871
(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463855
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
CID 43311306
(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63732050
(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107874154
(3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone
CID 107874174
(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919039
1-(5-bromo-2-ethoxyphenyl)-4-chlorobutan-1-one
CID 82051152
(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone (CID 107874153) is (3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone is CCOc1ccc(Br)cc1C(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone?
The InChIKey is XDRZYNADVQNLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-3-21-15-5-4-10(17)6-13(15)16(20)12-7-11(18)8-14(19)9(12)2/h4-8H,3,19H2,1-2H3.
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone has a molecular weight of 413.11 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone is sourced from PubChem (CID 107874153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).