Chemical ID: 5776562

c1ccc(c(c1)C(=O)Nc2ccc(cc2)CC#N)Cl
Chemical ID:
5776562
Name [?]:
2-chloro-N-[4-(cyanomethyl)phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)CC#N)Cl
InChi [?]:
InChI=1/C15H11ClN2O/c16-14-4-2-1-3-13(14)15(19)18-12-7-5-11(6-8-12)9-10-17/h1-8H,9H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,16,17,13,10,5,4,7,19,18,9,8/E:(5,6)(7,8)/rA:19nCCCCCCCONCCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;t17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClN2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.627
Area:466.312
Solvation:-3.03081
Coulombic:-24.8733
Bond Count [?]
All:20
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.713
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.15
LogP (Chemaxon):3.59

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