(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone

C13H8BrClFNO — CID 114561157

IUPAC(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2c(F)cccc2Br)c(Cl)c1
InChIInChI=1S/C13H8BrClFNO/c14-9-2-1-3-11(16)12(9)13(18)8-5-4-7(17)6-10(8)15/h1-6H,17H2
InChIKeyAIXQEJIOSVRGDL-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.05
Rot. Bonds2

About (4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone

(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone (PubChem CID 114561157) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone
PubChem CID114561157
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC Name(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2c(F)cccc2Br)c(Cl)c1
InChIInChI=1S/C13H8BrClFNO/c14-9-2-1-3-11(16)12(9)13(18)8-5-4-7(17)6-10(8)15/h1-6H,17H2
InChIKeyAIXQEJIOSVRGDL-UHFFFAOYSA-N
XLogP4.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.05
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

(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
(4-amino-2-bromophenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81461861
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone
CID 114885354
(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
CID 114558647
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
CID 43168230
(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61238817
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
CID 103394058
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone
CID 114885395

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone (CID 114561157) is (4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone is Nc1ccc(C(=O)c2c(F)cccc2Br)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone?
The InChIKey is AIXQEJIOSVRGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-9-2-1-3-11(16)12(9)13(18)8-5-4-7(17)6-10(8)15/h1-6H,17H2.
What are the key properties of (4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone?
(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone has a molecular weight of 328.57 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone is sourced from PubChem (CID 114561157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).