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Chemical ID: 6938054
Chemical ID:
6938054
Name [?]:
N-[3-chloro-4-(3-methylbenzoyl)amino-phenyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2ccc(c(c2)Cl)NC(=O)c3cccc(c3)C
InChi [?]:
InChI=1/C22H19ClN2O2/c1-14-5-3-7-16(11-14)21(26)24-18-9-10-20(19(23)13-18)25-22(27)17-8-4-6-15(2)12-17/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,27,4,23,3,24,5,22,12,13,7,26,16,2,25,6,21,11,15,14,8,19,17,10,18,9,20/rA:27nCCCCCCCCONCCCCCCClNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19ClN2O2 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6687 |
Area: | 609.607 |
Solvation: | -2.57151 |
Coulombic: | -45.7126 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 378.851 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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