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Chemical ID: 7530454
Chemical ID:
7530454
Name [?]:
2,4-dichloro-N-[4-(isobutylcarbamoyl)phenyl]-benzamide
SMILES [?]:
CC(C)CNC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C18H18Cl2N2O2/c1-11(2)10-21-17(23)12-3-6-14(7-4-12)22-18(24)15-8-5-13(19)9-16(15)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,9,13,19,10,12,18,21,4,2,8,20,11,17,22,6,15,24,23,5,14,7,16/E:(1,2)(3,4)(6,7)/rA:24nCCCCNCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18Cl2N2O2 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.7202 |
Area: | 587.199 |
Solvation: | -2.9598 |
Coulombic: | -44.7372 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.72 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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