(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

C15H11BrF3NO — CID 102756821

IUPAC(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C15H11BrF3NO/c1-8-6-10(15(17,18)19)3-4-11(8)14(21)9-2-5-13(20)12(16)7-9/h2-7H,20H2,1H3
InChIKeyOCNKXTXTXOBENZ-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.59
Rot. Bonds2

About (4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 102756821) has the molecular formula C15H11BrF3NO and a molecular weight of 358.16 g/mol. Its IUPAC name is (4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID102756821
Molecular FormulaC15H11BrF3NO
Molecular Weight358.16 g/mol
Exact Mass357.00
IUPAC Name(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C15H11BrF3NO/c1-8-6-10(15(17,18)19)3-4-11(8)14(21)9-2-5-13(20)12(16)7-9/h2-7H,20H2,1H3
InChIKeyOCNKXTXTXOBENZ-UHFFFAOYSA-N
XLogP4.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 115911568
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752678
(4-amino-3-bromophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994532
(2,5-dibromothiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107967866
(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756910
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752670
(2-amino-5-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 69458857

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 102756821) is (4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(F)(F)F)ccc1C(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of (4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is OCNKXTXTXOBENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO/c1-8-6-10(15(17,18)19)3-4-11(8)14(21)9-2-5-13(20)12(16)7-9/h2-7H,20H2,1H3.
What are the key properties of (4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 358.16 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102756821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).