(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone

C15H13BrFNO2 — CID 104662550

IUPAC(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(N)ccc2F)cc1Br
InChIInChI=1S/C15H13BrFNO2/c1-2-20-14-6-3-9(7-12(14)16)15(19)11-8-10(18)4-5-13(11)17/h3-8H,2,18H2,1H3
InChIKeyALCVTCSKWNUYFC-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.80
Rot. Bonds4

About (5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone

(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone (PubChem CID 104662550) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
PubChem CID104662550
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(N)ccc2F)cc1Br
InChIInChI=1S/C15H13BrFNO2/c1-2-20-14-6-3-9(7-12(14)16)15(19)11-8-10(18)4-5-13(11)17/h3-8H,2,18H2,1H3
InChIKeyALCVTCSKWNUYFC-UHFFFAOYSA-N
XLogP3.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.80
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-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819
(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653
(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662563
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone (CID 104662550) is (5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cc(N)ccc2F)cc1Br.
What is the InChIKey of (5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
The InChIKey is ALCVTCSKWNUYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-2-20-14-6-3-9(7-12(14)16)15(19)11-8-10(18)4-5-13(11)17/h3-8H,2,18H2,1H3.
What are the key properties of (5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone has a molecular weight of 338.18 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone is sourced from PubChem (CID 104662550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).