P7C3-A20

C₂₂H₁₉Br₂FN₂OCAS 1235481-90-9506.21 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Secondary amine

Properties

Molecular formula: C₂₂H₁₉Br₂FN₂O
Molar mass: 506.21 g/mol
Exact mass: 503.9848 Da
logP: 6.78Crippen estimate
Polar surface area: 26.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1235481-90-9

SMILES

COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)F

InChIKey

XNLTWMQBJFWQOU-UHFFFAOYSA-N

InChI

InChI=1S/C22H19Br2FN2O/c1-28-18-4-2-3-17(11-18)26-12-16(25)13-27-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)27/h2-11,16,26H,12-13H2,1H3

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Names and synonyms

1 names

N-(3-(3,6-Dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-3-methoxyaniline

Work with P7C3-A20

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromoanisole2398-37-041 % similar 1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-ol335165-68-936 % similar 3-Methoxydiphenylamine101-16-636 % similar 3-Methoxyphenylhydrazine hydrochloride39232-91-235 % similar 2-Bromo-6-methoxynaphthalene5111-65-934 % similar 1,3-Dimethoxybenzene151-10-031 % similar 5-Bromo-2-chloroanisole16817-43-931 % similar 3-(Difluoromethoxy)bromobenzene262587-05-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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