Chemical ID: 6141149

CC1(C2(CCC1(C(C2=O)Br)C(=O)Nc3ccc(c(c3)Cl)Cl)C)C
Chemical ID:
6141149
Name [?]:
2-bromo-N-(3,4-dichlorophenyl)-4,7,7-trimethyl-3-oxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2(CCC1(C(C2=O)Br)C(=O)Nc3ccc(c(c3)Cl)Cl)C)C
InChi [?]:
InChI=1/C17H18BrCl2NO2/c1-15(2)16(3)6-7-17(15,12(18)13(16)22)14(23)21-9-4-5-10(19)11(20)8-9/h4-5,8,12H,6-7H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,15,16,4,5,19,14,17,18,7,8,11,2,3,6,10,21,20,13,9,12/E:(1,2)/rA:23cCCCCCCCCOBrCONCCCCCCClClCC/rB:s1;s2;s3;s4;s2s5;s6;s3s7;d8;s7;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18BrCl2NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:10.423
Area:527.404
Solvation:-2.76215
Coulombic:-29.0482
Bond Count [?]
All:25
Single:20
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:419.14
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.09
LogP (Chemaxon):5.97

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Descriptor Annotations

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