Chemical ID: 4457809

CC1(C2(CCC1(C(=O)C2=O)C(=O)Nc3ccccc3Cl)C)C
Chemical ID:
4457809
Name [?]:
N-(2-chlorophenyl)-4,7,7-trimethyl-2,3-dioxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2(CCC1(C(=O)C2=O)C(=O)Nc3ccccc3Cl)C)C
InChi [?]:
InChI=1/C17H18ClNO3/c1-15(2)16(3)8-9-17(15,13(21)12(16)20)14(22)19-11-7-5-4-6-10(11)18/h4-7H,8-9H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,17,16,18,15,4,5,19,14,9,7,11,2,3,6,20,13,10,8,12/E:(1,2)/rA:22cCCCCCCCOCOCONCCCCCCClCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;d9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:8.85966
Area:481.629
Solvation:-3.18107
Coulombic:-37.9628
Bond Count [?]
All:24
Single:18
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:319.782
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.69
LogP (Chemaxon):4.56

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