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Chemical ID: 7357424
Chemical ID:
7357424
Name [?]:
N-(3-cyanophenyl)-2-(2-naphthylamino)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)NCC(=O)Nc3cccc(c3)C#N
InChi [?]:
InChI=1/C19H15N3O/c20-12-14-4-3-7-18(10-14)22-19(23)13-21-17-9-8-15-5-1-2-6-16(15)11-17/h1-11,21H,13H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,10,3,17,8,7,21,5,22,12,20,9,4,6,16,13,23,11,15,14/rA:23nCCCCCCCCCCNCCONCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N3O |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1223 |
Area: | 529.944 |
Solvation: | -3.1263 |
Coulombic: | -37.3555 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 301.342 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.39 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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