Chemical ID: 5972401

Cc1c(cc(n1c2cccc(c2)F)c3ccc(cc3)Cl)C(=O)NCc4cccc(c4)C(F)(F)F
Chemical ID:
5972401
Name [?]:
5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
SMILES [?]:
Cc1c(cc(n1c2cccc(c2)F)c3ccc(cc3)Cl)C(=O)NCc4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C26H19ClF4N2O/c1-16-23(25(34)32-15-17-4-2-5-19(12-17)26(29,30)31)14-24(18-8-10-20(27)11-9-18)33(16)22-7-3-6-21(28)13-22/h2-14H,15H2,1H3,(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,27,9,26,28,10,8,15,19,16,18,30,12,4,24,2,25,14,29,17,11,7,3,5,21,31,20,13,32,33,34,23,6,22/E:(8,9)(10,11)(29,30,31)/rA:34nCCCCCNCCCCCCFCCCCCCClCONCCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s11;s5;s14;d15;s16;d17;d14s18;s17;s3;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s29;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H19ClF4N2O
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.205
Area:683.693
Solvation:-3.88736
Coulombic:-53.1372
Bond Count [?]
All:37
Single:25
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:486.888
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.62
LogP (Chemaxon):6.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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