Chemical ID: 7521126

c1cc(c(cc1Br)Cl)NC(=O)C2CC(=O)N(C2)C3CCCCC3
Chemical ID:
7521126
Name [?]:
N-(4-bromo-2-chloro-phenyl)-1-cyclohexyl-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
c1cc(c(cc1Br)Cl)NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChi [?]:
InChI=1/C17H20BrClN2O2/c18-12-6-7-15(14(19)9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h6-7,9,11,13H,1-5,8,10H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:21,20,22,19,23,1,2,13,5,17,12,6,18,4,3,14,10,7,8,9,16,15,11/E:(2,3)(4,5)/rA:23cCCCCCCBrClNCOCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;d14;s14;s12s16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20BrClN2O2
All Atoms:43
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:10.8277
Area:543.432
Solvation:-2.75809
Coulombic:-36.2564
Bond Count [?]
All:25
Single:20
Double:5
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.49
LogP (Chemaxon):None

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Descriptor Annotations

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