(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone

C15H13BrFNO — CID 84604720

IUPAC(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone
SMILESCNCc1ccc(C(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C15H13BrFNO/c1-18-9-10-2-4-11(5-3-10)15(19)13-8-12(16)6-7-14(13)17/h2-8,18H,9H2,1H3
InChIKeyVKEFCAWOSPLDIO-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.54
Rot. Bonds4

About (5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone

(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone (PubChem CID 84604720) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone
PubChem CID84604720
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone
SMILESCNCc1ccc(C(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C15H13BrFNO/c1-18-9-10-2-4-11(5-3-10)15(19)13-8-12(16)6-7-14(13)17/h2-8,18H,9H2,1H3
InChIKeyVKEFCAWOSPLDIO-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 43337782
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860
5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 34558079
(5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613281
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
CID 65306723
(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
CID 79742362

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone (CID 84604720) is (5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone is CNCc1ccc(C(=O)c2cc(Br)ccc2F)cc1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone?
The InChIKey is VKEFCAWOSPLDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-18-9-10-2-4-11(5-3-10)15(19)13-8-12(16)6-7-14(13)17/h2-8,18H,9H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone?
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone has a molecular weight of 322.18 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone is sourced from PubChem (CID 84604720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).