Chemical ID: 6933678

CCN(CC)c1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C#N
Chemical ID:
6933678
Name [?]:
N-(3-chloro-4-cyano-phenyl)-4-diethylamino-benzamide
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C#N
InChi [?]:
InChI=1/C18H18ClN3O/c1-3-22(4-2)16-9-6-13(7-10-16)18(23)21-15-8-5-14(12-20)17(19)11-15/h5-11H,3-4H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,17,8,10,16,7,11,20,22,9,18,15,6,19,12,21,23,14,3,13/E:(1,2)(3,4)(6,7)(9,10)/rA:23nCCNCCCCCCCCCONCCCCCCClCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClN3O
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.3161
Area:555.196
Solvation:-2.56384
Coulombic:-31.9091
Bond Count [?]
All:24
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:327.808
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.39
LogP (Chemaxon):4.38

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Descriptor Annotations

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