Chemical ID: 4244265

Cc1ccc(cc1Cl)NC(=O)C23CCC(C2(C)C)(C(=O)C3)C
Chemical ID:
4244265
Name [?]:
N-(3-chloro-4-methyl-phenyl)-4,7,7-trimethyl-3-oxo-norbornane-1-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)C23CCC(C2(C)C)(C(=O)C3)C
InChi [?]:
InChI=1/C18H22ClNO2/c1-11-5-6-12(9-13(11)19)20-15(22)18-8-7-17(4,14(21)10-18)16(18,2)3/h5-6,9H,7-8,10H2,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,17,18,22,3,4,14,13,6,21,2,5,7,19,10,16,15,12,8,9,20,11/E:(2,3)/rA:22cCCCCCCCClNCOCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s12s15;s16;s16;s15;d19;s12s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.55124
Area:498.326
Solvation:-2.90692
Coulombic:-28.4263
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:319.826
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.08
LogP (Chemaxon):5.14

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