(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone

C15H13BrFNO — CID 106647340

IUPAC(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H13BrFNO/c1-18(2)11-6-3-5-10(9-11)15(19)12-7-4-8-13(16)14(12)17/h3-9H,1-2H3
InChIKeyVLZJIEVWFIMVHV-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.89
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone

(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone (PubChem CID 106647340) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone
PubChem CID106647340
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H13BrFNO/c1-18(2)11-6-3-5-10(9-11)15(19)12-7-4-8-13(16)14(12)17/h3-9H,1-2H3
InChIKeyVLZJIEVWFIMVHV-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 105099010
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone
CID 106647344
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide
CID 106544263
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999
(3-bromo-2-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 107949641
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide
CID 175978103
(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone (CID 106647340) is (3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)c2cccc(Br)c2F)c1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone?
The InChIKey is VLZJIEVWFIMVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-18(2)11-6-3-5-10(9-11)15(19)12-7-4-8-13(16)14(12)17/h3-9H,1-2H3.
What are the key properties of (3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone?
(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone has a molecular weight of 322.18 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 106647340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).