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Chemical ID: 4441430
Chemical ID:
4441430
Name [?]:
2-[2-(2,3,5-trimethylphenoxy)acetyl]aminobenzamide
SMILES [?]:
Cc1cc(c(c(c1)OCC(=O)Nc2ccccc2C(=O)N)C)C
InChi [?]:
InChI=1/C18H20N2O3/c1-11-8-12(2)13(3)16(9-11)23-10-17(21)20-15-7-5-4-6-14(15)18(19)22/h4-9H,10H2,1-3H3,(H2,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,16,15,17,14,3,7,9,2,4,5,18,13,6,10,19,21,12,11,20,8/rA:23nCCCCCCCOCCONCCCCCCCONCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8818 |
Area: | 525.632 |
Solvation: | -4.25899 |
Coulombic: | -54.7495 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.09 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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