(R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide

C₁₆H₁₆BrNO₃CAS 201677-59-0350.21 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Amide Ether

Properties

Molecular formula: C₁₆H₁₆BrNO₃
Molar mass: 350.21 g/mol
Exact mass: 349.0314 Da
logP: 3.26Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

201677-59-0

SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)[C@H](CBr)O)NC=O

InChIKey

HKSUZIIGCSOMPX-HNNXBMFYSA-N

InChI

InChI=1S/C16H16BrNO3/c17-9-15(20)13-6-7-16(14(8-13)18-11-19)21-10-12-4-2-1-3-5-12/h1-8,11,15,20H,9-10H2,(H,18,19)/t15-/m0/s1

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Names and synonyms

1 names

(R)-N-[5-(2-Bromo-1-hydroxyethyl)-2-(phenylmethoxy)phenyl]formamide

Work with (R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide

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

5-[(1R)-2-Bromo-1-hydroxyethyl]-8-(phenylmethoxy)-2(1H)-quinolinone530084-79-844 % similar α1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-843 % similar 3,4-Bis(benzyloxy)benzaldehyde5447-02-940 % similar 2-(Benzyloxy)benzaldehyde5896-17-337 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-136 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-036 % similar 2-[3-Nitro-4-(phenylmethoxy)phenyl]oxirane51582-41-335 % similar 4-Benzyloxy-3-fluorophenylboronic Acid133057-83-734 % similar

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

Elsewhere

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