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Chemical ID: 5498602
Chemical ID:
5498602
Name [?]:
3-acetamido-N-(1-naphthyl)benzamide
SMILES [?]:
CC(=O)Nc1cccc(c1)C(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C19H16N2O2/c1-13(22)20-16-9-4-8-15(12-16)19(23)21-18-11-5-7-14-6-2-3-10-17(14)18/h2-12H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,21,7,16,23,17,8,6,20,15,10,2,18,9,5,19,14,11,4,13,3,12/rA:23nCCONCCCCCCCONCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20973 |
Area: | 505.508 |
Solvation: | -3.42797 |
Coulombic: | -42.2528 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.343 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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