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Chemical ID: 6882957
Chemical ID:
6882957
Name [?]:
4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylmethoxy]-N-(2-ethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C24H20ClF3N2O4/c1-2-33-21-6-4-3-5-19(21)30-23(32)15-7-10-17(11-8-15)34-14-22(31)29-20-13-16(24(26,27)28)9-12-18(20)25/h3-13H,2,14H2,1H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,14,18,27,15,17,28,25,20,13,26,16,29,9,24,4,21,11,31,30,32,33,34,23,10,22,12,3,19/E:(7,8)(10,11)(26,27,28)/rA:34nCCOCCCCCCNCOCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s26;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClF3N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4293 |
Area: | 717.634 |
Solvation: | -6.51156 |
Coulombic: | -76.8486 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 492.875 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.53 |
LogP (Chemaxon): | 4.77 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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