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Chemical ID: 4754696
Chemical ID:
4754696
Name [?]:
N-(2-morpholinophenyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccccc2N3CCOCC3
InChi [?]:
InChI=1/C17H18N2O2/c20-17(14-6-2-1-3-7-14)18-15-8-4-5-9-16(15)19-10-12-21-13-11-19/h1-9H,10-13H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,17,21,18,20,4,10,15,7,9,16,8,19/E:(2,3)(6,7)(10,11)(12,13)/rA:21nCCCCCCCONCCCCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.66404 |
Area: | 476.321 |
Solvation: | -3.24399 |
Coulombic: | -38.3736 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.337 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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