Chemical ID: 5343725

c1cc(ccc1c2ccc(o2)C=C(C#N)C(=O)Nc3cc(ccc3Cl)C(F)(F)F)Br
Chemical ID:
5343725
Name [?]:
3-[5-(4-bromophenyl)-2-furyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-prop-2-enamide
SMILES [?]:
c1cc(ccc1c2ccc(o2)C=C(C#N)C(=O)Nc3cc(ccc3Cl)C(F)(F)F)Br
InChi [?]:
InChI=1/C21H11BrClF3N2O2/c22-15-4-1-12(2-5-15)19-8-6-16(30-19)9-13(11-27)20(29)28-18-10-14(21(24,25)26)3-7-17(18)23/h1-10H,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,5,22,2,4,9,23,8,12,20,14,6,13,21,3,10,24,19,7,16,26,30,25,27,28,29,15,18,17,11/E:(1,2)(4,5)(24,25,26)/rA:30nCCCCCCCCCCOCCCNCONCCCCCCClCFFFBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;w12;s13;t14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;s26;s26;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H11BrClF3N2O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1024
Area:631.579
Solvation:-3.68703
Coulombic:-52.0363
Bond Count [?]
All:32
Single:21
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:495.676
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.91
LogP (Chemaxon):5.48

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