(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone

C13H9BrFNO — CID 116597103

IUPAC(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
SMILESNc1cc(Br)cc(C(=O)c2ccccc2F)c1
InChIInChI=1S/C13H9BrFNO/c14-9-5-8(6-10(16)7-9)13(17)11-3-1-2-4-12(11)15/h1-7H,16H2
InChIKeyHDOQIWSWTUIRQF-UHFFFAOYSA-N
MW294.12 g/mol
LogP3.40
Rot. Bonds2

About (3-amino-5-bromophenyl)-(2-fluorophenyl)methanone

(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone (PubChem CID 116597103) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is (3-amino-5-bromophenyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
PubChem CID116597103
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
SMILESNc1cc(Br)cc(C(=O)c2ccccc2F)c1
InChIInChI=1S/C13H9BrFNO/c14-9-5-8(6-10(16)7-9)13(17)11-3-1-2-4-12(11)15/h1-7H,16H2
InChIKeyHDOQIWSWTUIRQF-UHFFFAOYSA-N
XLogP3.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 53.40
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

(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
CID 114965994
(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 116597045
(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106944116
(2,5-diaminophenyl)-(2-fluorophenyl)methanone
CID 526486
(2,6-difluorophenyl)methyl 3-amino-5-bromobenzoate
CID 103993259
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
(3-amino-5-bromophenyl)-pyridin-3-ylmethanone
CID 50994432
(3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103304686
(2-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 2783235
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromophenyl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-amino-5-bromophenyl)-(2-fluorophenyl)methanone (CID 116597103) is (3-amino-5-bromophenyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-5-bromophenyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-amino-5-bromophenyl)-(2-fluorophenyl)methanone is Nc1cc(Br)cc(C(=O)c2ccccc2F)c1.
What is the InChIKey of (3-amino-5-bromophenyl)-(2-fluorophenyl)methanone?
The InChIKey is HDOQIWSWTUIRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO/c14-9-5-8(6-10(16)7-9)13(17)11-3-1-2-4-12(11)15/h1-7H,16H2.
What are the key properties of (3-amino-5-bromophenyl)-(2-fluorophenyl)methanone?
(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone has a molecular weight of 294.12 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromophenyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 116597103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).