[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone

C15H11F4NO — CID 115911568

IUPAC[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(C(F)(F)F)ccc2N)ccc1F
InChIInChI=1S/C15H11F4NO/c1-8-6-9(2-4-12(8)16)14(21)11-7-10(15(17,18)19)3-5-13(11)20/h2-7H,20H2,1H3
InChIKeyZBTMQMQXIUNZBP-UHFFFAOYSA-N
MW297.25 g/mol
LogP3.97
Rot. Bonds2

About [2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone

[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone (PubChem CID 115911568) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is [2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
PubChem CID115911568
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC Name[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(C(F)(F)F)ccc2N)ccc1F
InChIInChI=1S/C15H11F4NO/c1-8-6-9(2-4-12(8)16)14(21)11-7-10(15(17,18)19)3-5-13(11)20/h2-7H,20H2,1H3
InChIKeyZBTMQMQXIUNZBP-UHFFFAOYSA-N
XLogP3.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756821
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
CID 115911534
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756910
(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736594
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780
(2-amino-5-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 69458857
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707550

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone (CID 115911568) is [2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2cc(C(F)(F)F)ccc2N)ccc1F.
What is the InChIKey of [2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is ZBTMQMQXIUNZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c1-8-6-9(2-4-12(8)16)14(21)11-7-10(15(17,18)19)3-5-13(11)20/h2-7H,20H2,1H3.
What are the key properties of [2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone?
[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 297.25 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 115911568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).