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Chemical ID: 7521287
Chemical ID:
7521287
Name [?]:
N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]cyclohexanecarboxamide
SMILES [?]:
CC1=C(C(C(=O)N1C2CCCC2)(C(F)(F)F)NC(=O)C3CCCCC3)C(=O)C
InChi [?]:
InChI=1/C20H27F3N2O3/c1-12-16(13(2)26)19(20(21,22)23,18(28)25(12)15-10-6-7-11-15)24-17(27)14-8-4-3-5-9-14/h14-15H,3-11H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,28,23,22,24,10,11,21,25,9,12,2,26,20,8,3,18,5,4,13,14,15,16,17,7,27,19,6/E:(4,5)(6,7)(8,9)(10,11)(21,22,23)/rA:28cCCCCCONCCCCCCFFFNCOCCCCCCCOC/rB:s1;d2;s3;s4;d5;s2s5;s7;s8;s9;s10;s8s11;s4;s13;s13;s13;s4;s17;d18;s18;s20;s21;s22;s23;s20s24;s3;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27F3N2O3 |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.8983 |
Area: | 540.638 |
Solvation: | -4.61766 |
Coulombic: | -60.8416 |
Bond Count [?]
All: | 30 |
Single: | 26 |
Double: | 4 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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