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Chemical ID: 7515966
Chemical ID:
7515966
Name [?]:
N-(4-acetamidophenyl)-4-butoxy-3,5-dichloro-benzamide
SMILES [?]:
CCCCOc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)NC(=O)C)Cl
InChi [?]:
InChI=1/C19H20Cl2N2O3/c1-3-4-9-26-18-16(20)10-13(11-17(18)21)19(25)23-15-7-5-14(6-8-15)22-12(2)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,18,20,17,21,4,8,10,23,9,19,16,7,11,6,13,26,12,22,15,24,14,5/E:(5,6)(7,8)(10,11)(16,17)(20,21)/rA:26nCCCCOCCCCCCClCONCCCCCCNCOCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s9;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20Cl2N2O3 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3565 |
Area: | 629.507 |
Solvation: | -4.38122 |
Coulombic: | -48.7511 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.33 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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