rel-2-Chloro-4-[[(1R,2S,3S)-2,3-dihydroxy-2-methyl-cyclopentyl]amino]-3-methyl-benzonitrile

HCID 89510197
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Basic information

Standard SMILES
Cc1c(N[C@@H]2CC[C@H](O)[C@@]2(C)O)ccc(C#N)c1Cl
InChIKey
VQJACGXPDSHWKM-DYEKYZERSA-N
Molecular formula
C14H17ClN2O2
Average molar mass
280.75 g/mol
Monoisotopic mass
280.0978555

Names & identifiers

Preferred name
rel-2-Chloro-4-[[(1R,2S,3S)-2,3-dihydroxy-2-methyl-cyclopentyl]amino]-3-methyl-benzonitrile
IUPAC
2-chloro-4-[[(1R,2S,3S)-2,3-dihydroxy-2-methylcyclopentyl]amino]-3-methylbenzonitrile

Names & synonyms

SCHEMBL14874048VQJACGXPDSHWKM-DYEKYZERSA-Nrel-2-Chloro-4-[[(1R,2S,3S)-2,3-dihydroxy-2-methyl-cyclopentyl]amino]-3-methyl-benzonitrile

Database identifiers

PubChem CID
89510197

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
76.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

Related reactions

1 records
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Compound notes

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