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Chemical ID: 6962817
Chemical ID:
6962817
Name [?]:
3-(2-phenoxyacetyl)aminobenzamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2cccc(c2)C(=O)N
InChi [?]:
InChI=1/C15H14N2O3/c16-15(19)11-5-4-6-12(9-11)17-14(18)10-20-13-7-2-1-3-8-13/h1-9H,10H2,(H2,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,13,3,5,17,8,16,12,4,9,18,20,11,10,19,7/E:(2,3)(7,8)/rA:20nCCCCCCOCCONCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O3 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65846 |
Area: | 474.907 |
Solvation: | -5.21422 |
Coulombic: | -53.9749 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.283 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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