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Chemical ID: 4170599
Chemical ID:
4170599
Name [?]:
3-methoxy-N-(p-tolyl)naphthalene-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc3ccccc3cc2OC
InChi [?]:
InChI=1/C19H17NO2/c1-13-7-9-16(10-8-13)20-19(21)17-11-14-5-3-4-6-15(14)12-18(17)22-2/h3-12H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,15,16,14,17,3,7,4,6,12,19,2,13,18,5,11,20,9,8,10,21/E:(7,8)(9,10)/rA:22nCCCCCCCNCOCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;s15;d16;s13s17;d18;d11s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.27383 |
Area: | 489.482 |
Solvation: | -3.96321 |
Coulombic: | -29.4652 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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