Chemical ID: 4238445

CC1(C2CCC(C2)(C1=O)C(=O)Nc3ccccc3Br)C
Chemical ID:
4238445
Name [?]:
N-(2-bromophenyl)-3,3-dimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2CCC(C2)(C1=O)C(=O)Nc3ccccc3Br)C
InChi [?]:
InChI=1/C16H18BrNO2/c1-15(2)10-7-8-16(9-10,13(15)19)14(20)18-12-6-4-3-5-11(12)17/h3-6,10H,7-9H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,16,15,17,14,4,5,7,3,18,13,8,10,2,6,19,12,9,11/E:(1,2)/rA:20cCCCCCCCCOCONCCCCCCBrC/rB:s1;s2;s3;s4;s5;s3s6;s2s6;d8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s2;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:9.03699
Area:458.107
Solvation:-2.41569
Coulombic:-29.5886
Bond Count [?]
All:22
Single:17
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:336.224
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):4.33

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