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Chemical ID: 6722130
Chemical ID:
6722130
Name [?]:
1-cycloheptyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
c1cc(ccc1CNC(=O)C2CC(=O)N(C2)C3CCCCCC3)F
InChi [?]:
InChI=1/C19H25FN2O2/c20-16-9-7-14(8-10-16)12-21-19(24)15-11-18(23)22(13-15)17-5-3-1-2-4-6-17/h7-10,15,17H,1-6,11-13H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:20,21,19,22,18,23,1,5,2,4,12,7,16,6,11,3,17,13,9,24,8,15,14,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:24cCCCCCCCNCOCCCONCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s13;s11s15;s15;s17;s18;s19;s20;s21;s17s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25FN2O2 |
All Atoms: | 49 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.68481 |
Area: | 543.539 |
Solvation: | -3.90366 |
Coulombic: | -40.503 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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