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Chemical ID: 6437097
Chemical ID:
6437097
Name [?]:
N-(3-benzamido-4-chloro-phenyl)-1-methoxy-naphthalene-2-carboxamide
SMILES [?]:
COc1c2ccccc2ccc1C(=O)Nc3ccc(c(c3)NC(=O)c4ccccc4)Cl
InChi [?]:
InChI=1/C25H19ClN2O3/c1-31-23-19-10-6-5-7-16(19)11-13-20(23)25(30)27-18-12-14-21(26)22(15-18)28-24(29)17-8-3-2-4-9-17/h2-15H,1H3,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,7,6,8,26,30,5,10,17,11,18,21,9,25,16,4,12,19,20,3,23,13,31,15,22,24,14,2/E:(3,4)(8,9)/rA:31nCOCCCCCCCCCCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;d3s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;s25;d26;s27;d28;d25s29;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19ClN2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1991 |
Area: | 647.275 |
Solvation: | -3.98278 |
Coulombic: | -53.3785 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 430.883 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.77 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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