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Chemical ID: 4183265
Chemical ID:
4183265
Name [?]:
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,4,6-trimethyl-benzamide
SMILES [?]:
Cc1cc(c(c(c1)C)C(=O)Nc2cc(ccc2Cl)C(=O)Nc3ccccc3)C
InChi [?]:
InChI=1/C23H21ClN2O2/c1-14-11-15(2)21(16(3)12-14)23(28)26-20-13-17(9-10-19(20)24)22(27)25-18-7-5-4-6-8-18/h4-13H,1-3H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,8,28,25,24,26,23,27,15,16,7,3,13,2,6,4,14,22,17,12,5,19,9,18,21,11,20,10/E:(2,3)(5,6)(7,8)(11,12)(15,16)/rA:28nCCCCCCCCCONCCCCCCClCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;d23;s24;d25;d22s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.501 |
Area: | 617.91 |
Solvation: | -2.94678 |
Coulombic: | -45.289 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.878 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.9 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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