(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone

C13H7BrF3NO — CID 82703694

IUPAC(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESNc1ccc(Br)cc1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7BrF3NO/c14-6-1-4-10(18)8(5-6)13(19)7-2-3-9(15)12(17)11(7)16/h1-5H,18H2
InChIKeyWTKLAFADTVBHNQ-UHFFFAOYSA-N
MW330.10 g/mol
LogP3.68
Rot. Bonds2

About (2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone

(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 82703694) has the molecular formula C13H7BrF3NO and a molecular weight of 330.10 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID82703694
Molecular FormulaC13H7BrF3NO
Molecular Weight330.10 g/mol
Exact Mass328.97
IUPAC Name(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESNc1ccc(Br)cc1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7BrF3NO/c14-6-1-4-10(18)8(5-6)13(19)7-2-3-9(15)12(17)11(7)16/h1-5H,18H2
InChIKeyWTKLAFADTVBHNQ-UHFFFAOYSA-N
XLogP3.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 53.68
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963924
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 66423624
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone
CID 116591705
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone (CID 82703694) is (2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone is Nc1ccc(Br)cc1C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is WTKLAFADTVBHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO/c14-6-1-4-10(18)8(5-6)13(19)7-2-3-9(15)12(17)11(7)16/h1-5H,18H2.
What are the key properties of (2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone?
(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 330.10 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 82703694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).