Chemical ID: 5449538

c1ccc(cc1)NCC(=O)Nc2ccccc2C#N
Chemical ID:
5449538
Name [?]:
2-anilino-N-(2-cyanophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)NCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C15H13N3O/c16-10-12-6-4-5-9-14(12)18-15(19)11-17-13-7-2-1-3-8-13/h1-9,17H,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,16,3,5,13,18,8,17,4,12,9,19,7,11,10/E:(2,3)(7,8)/rA:19nCCCCCCNCCONCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.00175
Area:464.597
Solvation:-2.61317
Coulombic:-37.4522
Bond Count [?]
All:20
Single:12
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.283
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.56
LogP (Chemaxon):2.52

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Descriptor Annotations

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