[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone

C14H8ClF4NO — CID 115911534

IUPAC[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
SMILESNc1ccc(C(F)(F)F)cc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H8ClF4NO/c15-8-2-3-9(11(16)6-8)13(21)10-5-7(14(17,18)19)1-4-12(10)20/h1-6H,20H2
InChIKeyOVAAVIYDBKJUJU-UHFFFAOYSA-N
MW317.67 g/mol
LogP4.31
Rot. Bonds2

About [2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone

[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone (PubChem CID 115911534) has the molecular formula C14H8ClF4NO and a molecular weight of 317.67 g/mol. Its IUPAC name is [2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
PubChem CID115911534
Molecular FormulaC14H8ClF4NO
Molecular Weight317.67 g/mol
Exact Mass317.02
IUPAC Name[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
SMILESNc1ccc(C(F)(F)F)cc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H8ClF4NO/c15-8-2-3-9(11(16)6-8)13(21)10-5-7(14(17,18)19)1-4-12(10)20/h1-6H,20H2
InChIKeyOVAAVIYDBKJUJU-UHFFFAOYSA-N
XLogP4.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.67
LogP ≤ 54.31
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

(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
[2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone
CID 101243523
[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 115911568
(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
CID 95420268
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
(4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone
CID 115791492
(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756910
(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757184

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone (CID 115911534) is [2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for [2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for [2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone is Nc1ccc(C(F)(F)F)cc1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of [2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is OVAAVIYDBKJUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4NO/c15-8-2-3-9(11(16)6-8)13(21)10-5-7(14(17,18)19)1-4-12(10)20/h1-6H,20H2.
What are the key properties of [2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone?
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 317.67 g/mol, XLogP of 4.31, 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-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 115911534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).