(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone

C14H11BrFNO2 — CID 116582093

IUPAC(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(N)c(Br)c2)c1F
InChIInChI=1S/C14H11BrFNO2/c1-19-12-4-2-3-9(13(12)16)14(18)8-5-6-11(17)10(15)7-8/h2-7H,17H2,1H3
InChIKeyXSVYYGGXOGKQJW-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.41
Rot. Bonds3

About (4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone

(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 116582093) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is (4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID116582093
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(N)c(Br)c2)c1F
InChIInChI=1S/C14H11BrFNO2/c1-19-12-4-2-3-9(13(12)16)14(18)8-5-6-11(17)10(15)7-8/h2-7H,17H2,1H3
InChIKeyXSVYYGGXOGKQJW-UHFFFAOYSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114905847
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554428
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone (CID 116582093) is (4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(N)c(Br)c2)c1F.
What is the InChIKey of (4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is XSVYYGGXOGKQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-19-12-4-2-3-9(13(12)16)14(18)8-5-6-11(17)10(15)7-8/h2-7H,17H2,1H3.
What are the key properties of (4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 324.15 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 116582093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).