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Chemical ID: 4201075
Chemical ID:
4201075
Name [?]:
N-[(2-chlorophenyl)methyl]-2-phenoxy-propanamide
SMILES [?]:
CC(C(=O)NCc1ccccc1Cl)Oc2ccccc2
InChi [?]:
InChI=1/C16H16ClNO2/c1-12(20-14-8-3-2-4-9-14)16(19)18-11-13-7-5-6-10-15(13)17/h2-10,12H,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,9,10,8,16,20,11,6,2,7,15,12,3,13,5,4,14/E:(3,4)(8,9)/rA:20cCCCONCCCCCCCClOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s2;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.99873 |
Area: | 497.414 |
Solvation: | -3.43663 |
Coulombic: | -32.1796 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.97 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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