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Chemical ID: 3869414
Chemical ID:
3869414
Name [?]:
4-(2-phenylacetyl)amino-N-(3-pyridylmethyl)benzamide
SMILES [?]:
c1ccc(cc1)CC(=O)Nc2ccc(cc2)C(=O)NCc3cccnc3
InChi [?]:
InChI=1/C21H19N3O2/c25-20(13-16-5-2-1-3-6-16)24-19-10-8-18(9-11-19)21(26)23-15-17-7-4-12-22-14-17/h1-12,14H,13,15H2,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,3,5,22,13,15,12,16,24,7,26,20,4,21,14,11,8,17,25,19,10,9,18/E:(2,3)(5,6)(8,9)(10,11)/rA:26nCCCCCCCCONCCCCCCCONCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4875 |
Area: | 590.6 |
Solvation: | -4.27748 |
Coulombic: | -47.3956 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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