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Chemical ID: 6876081
Chemical ID:
6876081
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-[(4-ethoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3C)Cl
InChi [?]:
InChI=1/C24H23ClN2O4/c1-3-30-19-13-9-18(10-14-19)26-23(28)15-31-20-11-7-17(8-12-20)24(29)27-22-6-4-5-21(25)16(22)2/h4-14H,3,15H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,2,26,27,25,17,19,6,8,16,20,5,9,13,29,18,7,4,15,28,24,11,21,31,10,23,12,22,3,14/E:(7,8)(9,10)(11,12)(13,14)/rA:31nCCOCCCCCCNCOCOCCCCCCCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O4 |
All Atoms: | 54 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1502 |
Area: | 694.235 |
Solvation: | -6.20568 |
Coulombic: | -57.4369 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 438.903 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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