Chemical ID: 7004816

Cc1c(cccc1Cl)NC(=O)C23CCC(C2(C)C)(C(=O)C3=O)C
Chemical ID:
7004816
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4,7,7-trimethyl-2,3-dioxo-norbornane-1-carboxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C23CCC(C2(C)C)(C(=O)C3=O)C
InChi [?]:
InChI=1/C18H20ClNO3/c1-10-11(19)6-5-7-12(10)20-15(23)18-9-8-17(4,16(18,2)3)13(21)14(18)22/h5-7H,8-9H2,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,17,18,23,5,6,4,14,13,2,7,3,19,21,10,16,15,12,8,9,20,22,11/E:(2,3)/rA:23cCCCCCCCClNCOCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s12s15;s16;s16;s15;d19;s12s19;d21;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO3
All Atoms:43
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.26777
Area:502.575
Solvation:-3.29661
Coulombic:-37.3793
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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