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LPK-26

CAT: 0926-SUA45107-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-SUA45107-02Size:50 mg
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CAS Number
492451-07-7
MDL Number
MFCD11114388
Smiles
CC (C) C (CN1CC=CC1) N (C) C (=O) CC2=CC (=C (C=C2) Cl) Cl.Cl
Molecular Formula
C18H25Cl3N2O
Molecular Weight
391.8 g/mol
Controlled
No

Chemical Information

Benzeneacetamide, 3,4-dichloro-N-((1S)-1-((2,5-dihydro-1H-pyrrol-1-yl)methyl)-2-methylpropyl)-N-methyl-, hydrochloride (1:1)

See also: Lpk-26 (annotation moved to).

CAS Number492451-07-7
PubChem CID71311846
IUPAC Name2-(3,4-dichlorophenyl)-N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-3-methylbutan-2-yl]-N-methylacetamide;hydrochloride
Molecular FormulaC18H25Cl3N2O
Molecular Weight391.8
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity419
SMILES
CC(C)[C@@H](CN1CC=CC1)N(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.Cl
InChI
InChI=1S/C18H24Cl2N2O.ClH/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14;/h4-7,10,13,17H,8-9,11-12H2,1-3H3;1H/t17-;/m1./s1
InChIKey
WOOCHAFXTYNYQE-UNTBIKODSA-N
Chemical Structure
2D Structure
2D structure of Benzeneacetamide, 3,4-dichloro-N-((1S)-1-((2,5-dihydro-1H-pyrrol-1-yl)methyl)-2-methylpropyl)-N-methyl-, hydrochloride (1:1)
CAS: 492451-07-7
CID: 71311846
Formula: C18H25Cl3N2O
MW: 391.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight391.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass390.103247
Monoisotopic Mass390.103247
Topological Polar Surface Area23.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes