(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone

C14H11BrFNO — CID 116597045

IUPAC(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C14H11BrFNO/c1-8-2-3-11(16)7-13(8)14(18)9-4-10(15)6-12(17)5-9/h2-7H,17H2,1H3
InChIKeyULMCTZAWDFJXRZ-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.71
Rot. Bonds2

About (3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone

(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 116597045) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is (3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID116597045
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C14H11BrFNO/c1-8-2-3-11(16)7-13(8)14(18)9-4-10(15)6-12(17)5-9/h2-7H,17H2,1H3
InChIKeyULMCTZAWDFJXRZ-UHFFFAOYSA-N
XLogP3.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.71
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-amino-5-bromophenyl)-(2-fluorophenyl)methanone
CID 116597103
1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone
CID 116597198
(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 18997592
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
CID 107981120
(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone
CID 107944439
(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068594
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106944116
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
CID 63047885

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone (CID 116597045) is (3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)c1cc(N)cc(Br)c1.
What is the InChIKey of (3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is ULMCTZAWDFJXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-8-2-3-11(16)7-13(8)14(18)9-4-10(15)6-12(17)5-9/h2-7H,17H2,1H3.
What are the key properties of (3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone?
(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 308.15 g/mol, XLogP of 3.71, 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)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 116597045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).