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Benzoylprop-ethyl

CAT: 0931-T30412-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30412-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33878-50-1
Target
Others
Related Pathways
Others
Bioactivity
Benzoylprop-ethyl is a bioactive chemical.
Smiles
N(C(=O)C1=CC=CC=C1)([C@H](C(OCC)=O)C)C2=CC(Cl)=C(Cl)C=C2
Molecular Formula
C18H17Cl2NO3
Molecular Weight
366.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Benzoyl-N-(3,4-dichlorophenyl)-L-alanine ethyl ester
CAS Number33878-50-1
PubChem CID22804255
IUPAC Nameethyl (2S)-2-(N-benzoyl-3,4-dichloroanilino)propanoate
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.2
XLogP4.1
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity440
SMILES
CCOC(=O)[C@H](C)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3/t12-/m0/s1
InChIKey
SLCGUGMPSUYJAY-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of N-Benzoyl-N-(3,4-dichlorophenyl)-L-alanine ethyl ester
CAS: 33878-50-1
CID: 22804255
Formula: C18H17Cl2NO3
MW: 366.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.2
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass365.0585488
Monoisotopic Mass365.0585488
Topological Polar Surface Area46.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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