Chemical ID: 5892947

c1cc(c(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NCC3CCCO3)N4CCCC4
Chemical ID:
5892947
Name [?]:
5-(2,4-dichlorobenzoyl)amino-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NCC3CCCO3)N4CCCC4
InChi [?]:
InChI=1/C23H25Cl2N3O3/c24-15-5-7-18(20(25)12-15)23(30)27-16-6-8-21(28-9-1-2-10-28)19(13-16)22(29)26-14-17-4-3-11-31-17/h5-8,12-13,17H,1-4,9-11,14H2,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:29,30,24,23,12,1,11,2,28,31,25,14,5,21,13,6,22,10,4,15,3,18,8,17,16,20,7,27,19,9,26/E:(1,2)(9,10)/rA:31cCCCCCCNCOCCCCCCClClCONCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s4;d18;s18;s20;s21;s22;s23;s24;s22s25;s3;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25Cl2N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.8421
Area:692.709
Solvation:-5.47558
Coulombic:-56.1759
Bond Count [?]
All:34
Single:26
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:462.368
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.71
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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