(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone

C15H10BrClF2O2 — CID 104656857

IUPAC(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(F)c(Cl)cc2F)cc1Br
InChIInChI=1S/C15H10BrClF2O2/c1-2-21-14-4-3-8(5-10(14)16)15(20)9-6-13(19)11(17)7-12(9)18/h3-7H,2H2,1H3
InChIKeyXEQXLKGTXONQLV-UHFFFAOYSA-N
MW375.60 g/mol
LogP5.01
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone

(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone (PubChem CID 104656857) has the molecular formula C15H10BrClF2O2 and a molecular weight of 375.60 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
PubChem CID104656857
Molecular FormulaC15H10BrClF2O2
Molecular Weight375.60 g/mol
Exact Mass373.95
IUPAC Name(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(F)c(Cl)cc2F)cc1Br
InChIInChI=1S/C15H10BrClF2O2/c1-2-21-14-4-3-8(5-10(14)16)15(20)9-6-13(19)11(17)7-12(9)18/h3-7H,2H2,1H3
InChIKeyXEQXLKGTXONQLV-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662550
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998416
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 104656991

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone (CID 104656857) is (3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone is CCOc1ccc(C(=O)c2cc(F)c(Cl)cc2F)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone?
The InChIKey is XEQXLKGTXONQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2O2/c1-2-21-14-4-3-8(5-10(14)16)15(20)9-6-13(19)11(17)7-12(9)18/h3-7H,2H2,1H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone?
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone has a molecular weight of 375.60 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone is sourced from PubChem (CID 104656857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).