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Chemical ID: 6882773
Chemical ID:
6882773
Name [?]:
4-[(3-chlorophenyl)carbamoylmethoxy]-N-(2-ethylphenyl)-benzamide
SMILES [?]:
CCc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C23H21ClN2O3/c1-2-16-6-3-4-9-21(16)26-23(28)17-10-12-20(13-11-17)29-15-22(27)25-19-8-5-7-18(24)14-19/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,25,4,26,24,7,13,17,14,16,28,19,3,12,27,23,15,8,20,10,29,22,9,21,11,18/E:(10,11)(12,13)/rA:29nCCCCCCCCNCOCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O3 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1671 |
Area: | 651.638 |
Solvation: | -5.12384 |
Coulombic: | -51.1275 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.877 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.96 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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