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Chemical ID: 6933642
Chemical ID:
6933642
Name [?]:
N-(3-chloro-4-cyano-phenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C#N
InChi [?]:
InChI=1/C15H11ClN2O2/c1-20-13-6-3-10(4-7-13)15(19)18-12-5-2-11(9-17)14(16)8-12/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,5,7,13,4,8,17,19,6,15,12,3,16,9,18,20,11,10,2/E:(3,4)(6,7)/rA:20nCOCCCCCCCONCCCCCCClCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClN2O2 |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62078 |
Area: | 486.195 |
Solvation: | -3.53411 |
Coulombic: | -32.3912 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.713 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.25 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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