(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone

C13H9BrFNO — CID 13408104

IUPAC(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
SMILESNc1ccc(F)cc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrFNO/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7H,16H2
InChIKeySXIYIIAUALHRTB-UHFFFAOYSA-N
MW294.12 g/mol
LogP3.40
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(4-bromophenyl)methanone

(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone (PubChem CID 13408104) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
PubChem CID13408104
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
SMILESNc1ccc(F)cc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrFNO/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7H,16H2
InChIKeySXIYIIAUALHRTB-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(2-amino-5-hydroxyphenyl)-(4-fluorophenyl)methanone
CID 105489008
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
CID 82685979
(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone
CID 116505707
(2-amino-4-bromophenyl)-(3-fluorophenyl)methanone
CID 116591874
(4-aminophenyl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 95425026
sodium 2-[2-amino-3-(4-bromobenzoyl)-5-fluorophenyl]acetate
CID 23711006
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
4-bromo-2-(4-fluorobenzoyl)benzoic acid
CID 22175464
[3-amino-2-[4-amino-3-(4-fluorobenzoyl)phenyl]prop-2-enylidene]azanium
CID 147525299

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(4-bromophenyl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(4-bromophenyl)methanone (CID 13408104) is (2-amino-5-fluorophenyl)-(4-bromophenyl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(4-bromophenyl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(4-bromophenyl)methanone is Nc1ccc(F)cc1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(4-bromophenyl)methanone?
The InChIKey is SXIYIIAUALHRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7H,16H2.
What are the key properties of (2-amino-5-fluorophenyl)-(4-bromophenyl)methanone?
(2-amino-5-fluorophenyl)-(4-bromophenyl)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 (2-amino-5-fluorophenyl)-(4-bromophenyl)methanone is sourced from PubChem (CID 13408104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).