Chemical ID: 6432501

Cc1ccc(cc1NC(=O)C23CCC(C2(C)C)(C(=O)C3=O)C)Cl
Chemical ID:
6432501
Name [?]:
N-(5-chloro-2-methyl-phenyl)-4,7,7-trimethyl-2,3-dioxo-norbornane-1-carboxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C23CCC(C2(C)C)(C(=O)C3=O)C)Cl
InChi [?]:
InChI=1/C18H20ClNO3/c1-10-5-6-11(19)9-12(10)20-15(23)18-8-7-17(4,16(18,2)3)13(21)14(18)22/h5-6,9H,7-8H2,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,16,17,22,3,4,13,12,6,2,5,7,18,20,9,15,14,11,23,8,19,21,10/E:(2,3)/rA:23cCCCCCCCNCOCCCCCCCCOCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s15;s15;s14;d18;s11s18;d20;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.33618
Area:503.001
Solvation:-3.23886
Coulombic:-37.3374
Bond Count [?]
All:25
Single:19
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:333.809
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.91
LogP (Chemaxon):5.03

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Descriptor Annotations

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