1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone

C14H10BrF2NO — CID 116597198

IUPAC1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone
SMILESNc1cc(Br)cc(C(=O)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C14H10BrF2NO/c15-10-3-9(4-12(18)6-10)14(19)5-8-1-2-11(16)7-13(8)17/h1-4,6-7H,5,18H2
InChIKeyUVPZIDQMNUYRPX-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.73
Rot. Bonds3

About 1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone

1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone (PubChem CID 116597198) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone
PubChem CID116597198
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone
SMILESNc1cc(Br)cc(C(=O)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C14H10BrF2NO/c15-10-3-9(4-12(18)6-10)14(19)5-8-1-2-11(16)7-13(8)17/h1-4,6-7H,5,18H2
InChIKeyUVPZIDQMNUYRPX-UHFFFAOYSA-N
XLogP3.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.73
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

2-(2,4-difluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 79705234
(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 116597045
2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 62620275
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 107538119
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone
CID 63411397
1-(3-amino-5-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116597104
1-(3-amino-5-bromophenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116597144
1-(3-amino-5-bromophenyl)but-3-yn-1-one
CID 116597024
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116597271

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone?
The IUPAC name of 1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone (CID 116597198) is 1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone is Nc1cc(Br)cc(C(=O)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone?
The InChIKey is UVPZIDQMNUYRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-10-3-9(4-12(18)6-10)14(19)5-8-1-2-11(16)7-13(8)17/h1-4,6-7H,5,18H2.
What are the key properties of 1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone?
1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone has a molecular weight of 326.14 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 116597198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).