Chemical ID: 5910996

c1ccc(cc1)CCN(Cc2ccco2)C(=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
5910996
Name [?]:
3,4-dichloro-N-(2-furylmethyl)-N-phenethyl-benzamide
SMILES [?]:
c1ccc(cc1)CCN(Cc2ccco2)C(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C20H17Cl2NO2/c21-18-9-8-16(13-19(18)22)20(24)23(14-17-7-4-12-25-17)11-10-15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,3,5,12,19,20,7,8,14,23,10,4,18,11,21,22,16,25,24,9,17,15/E:(2,3)(5,6)/rA:25nCCCCCCCCNCCCCCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;s11s14;s9;d16;s16;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17Cl2NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4139
Area:573.181
Solvation:-2.91565
Coulombic:-27.5401
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:374.26
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.09
LogP (Chemaxon):4.98

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Descriptor Annotations

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