1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone

C14H9Br2F2NO — CID 106272753

IUPAC1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
SMILESNc1ccc(Br)c(C(=O)Cc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C14H9Br2F2NO/c15-10-2-1-7(19)5-8(10)13(20)6-9-12(17)4-3-11(16)14(9)18/h1-5H,6,19H2
InChIKeyIIZHFWKDBKCUCW-UHFFFAOYSA-N
MW405.04 g/mol
LogP4.50
Rot. Bonds3

About 1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone

1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone (PubChem CID 106272753) has the molecular formula C14H9Br2F2NO and a molecular weight of 405.04 g/mol. Its IUPAC name is 1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
PubChem CID106272753
Molecular FormulaC14H9Br2F2NO
Molecular Weight405.04 g/mol
Exact Mass402.90
IUPAC Name1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
SMILESNc1ccc(Br)c(C(=O)Cc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C14H9Br2F2NO/c15-10-2-1-7(19)5-8(10)13(20)6-9-12(17)4-3-11(16)14(9)18/h1-5H,6,19H2
InChIKeyIIZHFWKDBKCUCW-UHFFFAOYSA-N
XLogP4.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.04
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)methyl 5-amino-2-bromobenzoate
CID 106269657
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
1-amino-3-(3-bromo-2,6-difluorophenyl)propan-2-one
CID 106272455
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide
CID 106264677
1-[4-(2-aminoethyl)phenyl]-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272613
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
CID 106265929
2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone
CID 106267777
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 106267787

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone?
The IUPAC name of 1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone (CID 106272753) is 1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone.
What is the SMILES notation for 1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone?
The canonical SMILES for 1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone is Nc1ccc(Br)c(C(=O)Cc2c(F)ccc(Br)c2F)c1.
What is the InChIKey of 1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone?
The InChIKey is IIZHFWKDBKCUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F2NO/c15-10-2-1-7(19)5-8(10)13(20)6-9-12(17)4-3-11(16)14(9)18/h1-5H,6,19H2.
What are the key properties of 1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone?
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone has a molecular weight of 405.04 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone is sourced from PubChem (CID 106272753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).