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Chemical ID: 7029247
Chemical ID:
7029247
Name [?]:
N-(3-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]dec-8-yl)-acetamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CN2C(=O)CC3(CCCC3)CC2=O
InChi [?]:
InChI=1/C17H19ClN2O3/c18-12-4-3-5-13(8-12)19-14(21)11-20-15(22)9-17(10-16(20)23)6-1-2-7-17/h3-5,8H,1-2,6-7,9-11H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:18,19,1,6,2,17,20,4,15,21,11,5,3,9,13,22,16,7,8,12,10,14,23/E:(1,2)(6,7)(9,10)(15,16)(22,23)/rA:23nCCCCCCClNCOCNCOCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s16s19;s16;s12s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19ClN2O3 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17485 |
Area: | 514.463 |
Solvation: | -3.68673 |
Coulombic: | -44.5553 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.797 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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