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Chemical ID: 5562206
Chemical ID:
5562206
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-3-phenyl-butanamide
SMILES [?]:
CC(CC(=O)Nc1ccc(c(c1)Cl)OC)c2ccccc2
InChi [?]:
InChI=1/C17H18ClNO2/c1-12(13-6-4-3-5-7-13)10-17(20)19-14-8-9-16(21-2)15(18)11-14/h3-9,11-12H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,19,18,20,17,21,8,9,3,12,2,16,7,11,10,4,13,6,5,14/E:(4,5)(6,7)/rA:21cCCCCONCCCCCCClOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s10;s14;s2;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.48452 |
Area: | 513.789 |
Solvation: | -3.3602 |
Coulombic: | -29.2879 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.01 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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