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Chemical ID: 4508179
Chemical ID:
4508179
Name [?]:
3-chloro-4-ethoxy-N-[3-(2-methylbenzoyl)aminophenyl]-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2cccc(c2)NC(=O)c3ccccc3C
InChi [?]:
InChI=1/C23H21ClN2O3/c1-3-29-21-12-11-16(13-20(21)24)22(27)25-17-8-6-9-18(14-17)26-23(28)19-10-5-4-7-15(19)2/h4-14H,3H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,2,26,25,16,27,15,17,24,6,5,8,19,28,7,14,18,23,9,4,11,21,10,13,20,12,22,3/rA:29nCCOCCCCCCClCONCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9238 |
Area: | 646.544 |
Solvation: | -4.23976 |
Coulombic: | -51.7581 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 408.877 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.36 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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