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Chemical ID: 6876155
Chemical ID:
6876155
Name [?]:
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccccc3Cl)C
InChi [?]:
InChI=1/C23H21ClN2O3/c1-15-7-8-16(2)21(13-15)25-22(27)14-29-18-11-9-17(10-12-18)23(28)26-20-6-4-3-5-19(20)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,25,24,26,23,3,4,15,17,14,18,7,11,2,5,16,13,27,22,6,9,19,28,8,21,10,20,12/E:(9,10)(11,12)/rA:29nCCCCCCCNCOCOCCCCCCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O3 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2736 |
Area: | 647.466 |
Solvation: | -4.9131 |
Coulombic: | -51.252 |
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: | 4.93 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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