Chemical ID: 7028578

CCCCc1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl
Chemical ID:
7028578
Name [?]:
N-(4-butylphenyl)-5-(2,4-dichlorophenyl)-furan-2-carboxamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H19Cl2NO2/c1-2-3-4-14-5-8-16(9-6-14)24-21(25)20-12-11-19(26-20)17-10-7-15(22)13-18(17)23/h5-13H,2-4H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,6,10,21,7,9,20,16,15,23,5,22,8,19,24,17,14,12,26,25,11,13,18/E:(5,6)(8,9)/rA:26nCCCCCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19Cl2NO2
All Atoms:45
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.3091
Area:625.422
Solvation:-2.32647
Coulombic:-33.8116
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:388.286
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.93
LogP (Chemaxon):6.19

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Descriptor Annotations

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