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Chemical ID: 5457046
Chemical ID:
5457046
Name [?]:
N-benzyl-2-chloro-N-ethyl-propanamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)C(C)Cl
InChi [?]:
InChI=1/C12H16ClNO/c1-3-14(12(15)10(2)13)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,8,7,9,6,10,4,13,5,11,15,3,12/E:(5,6)(7,8)/rA:15cCCNCCCCCCCCOCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.15919 |
Area: | 405.016 |
Solvation: | -1.96622 |
Coulombic: | -18.7319 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 225.714 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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