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Chemical ID: 4238445
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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