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Chemical ID: 6938053
Chemical ID:
6938053
Name [?]:
N-[3-chloro-4-(4-methylbenzoyl)amino-phenyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C22H19ClN2O2/c1-14-3-7-16(8-4-14)21(26)24-18-11-12-20(19(23)13-18)25-22(27)17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,27,3,7,23,25,4,6,22,26,12,13,16,2,24,5,21,11,15,14,8,19,17,10,18,9,20/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCCCCCCCCONCCCCCCClNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19ClN2O2 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6423 |
Area: | 610.0 |
Solvation: | -2.60766 |
Coulombic: | -45.6815 |
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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