Hexadecyl 3-amino-4-chlorobenzoate

C₂₃H₃₈ClNO₂CAS 143269-74-3396.01 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₂₃H₃₈ClNO₂
Molar mass: 396.01 g/mol
Exact mass: 395.2591 Da
logP: 7.56Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 16

Identifiers

CAS number

143269-74-3

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1

InChIKey

WZPMUDCUMKEHSE-UHFFFAOYSA-N

InChI

InChI=1S/C23H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18,25H2,1H3

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Names and synonyms

1 names

Benzoic acid, 3-amino-4-chloro-, hexadecyl ester

Work with Hexadecyl 3-amino-4-chlorobenzoate

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

Dodecyl 3-amino-4-chlorobenzoate6195-20-6100 % similar Dodecyl 4-chloro-3-nitrobenzoate124809-77-465 % similar Hexyl benzoate6789-88-456 % similar Octyl benzoate94-50-856 % similar Octyl P-hydroxybenzoate1219-38-155 % similar Dodecyl 4-hydroxybenzoate2664-60-055 % similar Butyl 4-aminobenzoate94-25-754 % similar Pentyl benzoate2049-96-953 % similar

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

Elsewhere

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