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Chemical ID: 5189349
Chemical ID:
5189349
Name [?]:
N-[(2-chlorophenyl)methyl]-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)NCc2ccccc2Cl
InChi [?]:
InChI=1/C15H14ClNO/c16-14-9-5-4-8-13(14)11-17-15(18)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,7,11,4,12,17,8,18,10,9/E:(2,3)(6,7)/rA:18nCCCCCCCCONCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12526 |
Area: | 458.848 |
Solvation: | -2.34593 |
Coulombic: | -23.5486 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.73 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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