Chemical ID: 5509948

Cc1ccccc1NC(=O)CNc2ccc(cc2)C#N
Chemical ID:
5509948
Name [?]:
2-(4-cyanophenyl)amino-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)CNc2ccc(cc2)C#N
InChi [?]:
InChI=1/C16H15N3O/c1-12-4-2-3-5-15(12)19-16(20)11-18-14-8-6-13(10-17)7-9-14/h2-9,18H,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,15,17,14,18,19,11,2,16,13,7,9,20,12,8,10/E:(6,7)(8,9)/rA:20nCCCCCCCNCOCNCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.26224
Area:487.612
Solvation:-2.92806
Coulombic:-36.585
Bond Count [?]
All:21
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.31
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.36
LogP (Chemaxon):2.33

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Descriptor Annotations

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