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Chemical ID: 6528254
Chemical ID:
6528254
Name [?]:
N-benzyl-2-methylamino-benzamide
SMILES [?]:
CNc1ccccc1C(=O)NCc2ccccc2
InChi [?]:
InChI=1/C15H16N2O/c1-16-14-10-6-5-9-13(14)15(18)17-11-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,6,5,14,18,7,4,12,13,8,3,9,2,11,10/E:(3,4)(7,8)/rA:18nCNCCCCCCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09673 |
Area: | 444.277 |
Solvation: | -2.01018 |
Coulombic: | -36.2829 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 240.3 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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