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Chemical ID: 4512138
Chemical ID:
4512138
Name [?]:
3,4-dichloro-N-[3-(isobutylcarbamoyl)phenyl]-benzamide
SMILES [?]:
CC(C)CNC(=O)c1cccc(c1)NC(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C18H18Cl2N2O2/c1-11(2)10-21-17(23)12-4-3-5-14(8-12)22-18(24)13-6-7-15(19)16(20)9-13/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,11,18,19,13,22,4,2,8,17,12,20,21,6,15,24,23,5,14,7,16/E:(1,2)/rA:24nCCCCNCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18Cl2N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7703 |
Area: | 591.104 |
Solvation: | -3.00735 |
Coulombic: | -45.0398 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 365.253 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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