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Chemical ID: 6525699
Chemical ID:
6525699
Name [?]:
N-(3-cyanophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C15H12N2O2/c1-19-14-7-5-12(6-8-14)15(18)17-13-4-2-3-11(9-13)10-16/h2-9H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,5,7,4,8,17,18,16,6,12,3,9,19,11,10,2/E:(5,6)(7,8)/rA:19nCOCCCCCCCONCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;t18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.99546 |
Area: | 457.633 |
Solvation: | -3.44536 |
Coulombic: | -32.6419 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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