Chemical ID: 6948293

CCC(C)c1ccccc1NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl
Chemical ID:
6948293
Name [?]:
5-(2,5-dichlorophenyl)-N-(2-sec-butylphenyl)-furan-2-carboxamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C21H19Cl2NO2/c1-3-13(2)15-6-4-5-7-18(15)24-21(25)20-11-10-19(26-20)16-12-14(22)8-9-17(16)23/h4-13H,3H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,4,2,7,8,6,9,22,23,16,15,20,3,21,5,19,24,10,17,14,12,26,25,11,13,18/rA:26cCCCCCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19Cl2NO2
All Atoms:45
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.9719
Area:609.716
Solvation:-2.27096
Coulombic:-33.9706
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:388.286
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.65
LogP (Chemaxon):5.48

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