3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one

C22H17BrF2O — CID 67015511

IUPAC3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(CC(=O)c1cc(F)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrF2O/c1-14-4-2-3-5-18(14)19(15-6-8-16(23)9-7-15)13-22(26)20-12-17(24)10-11-21(20)25/h2-12,19H,13H2,1H3
InChIKeyVKZXPTQMKKDJIE-UHFFFAOYSA-N
MW415.28 g/mol
LogP6.44
Rot. Bonds5

About 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one

3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one (PubChem CID 67015511) has the molecular formula C22H17BrF2O and a molecular weight of 415.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one
PubChem CID67015511
Molecular FormulaC22H17BrF2O
Molecular Weight415.28 g/mol
Exact Mass414.04
IUPAC Name3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(CC(=O)c1cc(F)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrF2O/c1-14-4-2-3-5-18(14)19(15-6-8-16(23)9-7-15)13-22(26)20-12-17(24)10-11-21(20)25/h2-12,19H,13H2,1H3
InChIKeyVKZXPTQMKKDJIE-UHFFFAOYSA-N
XLogP6.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.28
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622
3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one
CID 67015677
N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine
CID 76671396
1,5-bis[3-(4-bromophenyl)-3-(4-fluoro-2-methylphenyl)propanoyl]pyridin-2-one
CID 66669198
(3R)-1-(5-chloro-2-fluoro-4-pyridinyl)-3-(2-methylphenyl)-3-(4-phenylphenyl)propan-1-one
CID 141325091
5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one
CID 66669163
1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one
CID 90339605
1-(4-bromophenyl)-1-(2-methylphenyl)-3-(2,3,5-trifluorophenyl)propan-2-one
CID 123573993
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732
(3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide
CID 124560664
5-[3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-(cyclopropylmethyl)pyridin-2-one
CID 66669168
1-(2-bromophenyl)-3-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 139262381

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one (CID 67015511) is 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one is Cc1ccccc1C(CC(=O)c1cc(F)ccc1F)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one?
The InChIKey is VKZXPTQMKKDJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrF2O/c1-14-4-2-3-5-18(14)19(15-6-8-16(23)9-7-15)13-22(26)20-12-17(24)10-11-21(20)25/h2-12,19H,13H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one?
3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one has a molecular weight of 415.28 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 67015511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).