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Chemical ID: 5901997
Chemical ID:
5901997
Name [?]:
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2ccc(cc2)N3CCN(CC3)C(=O)CCC4CCCC4
InChi [?]:
InChI=1/C25H30FN3O2/c26-21-7-3-6-20(18-21)25(31)27-22-9-11-23(12-10-22)28-14-16-29(17-15-28)24(30)13-8-19-4-1-2-5-19/h3,6-7,9-12,18-19H,1-2,4-5,8,13-17H2,(H,27,31)
InChi Info:
AuxInfo=1/1/N:29,30,1,28,31,2,6,26,12,16,13,15,25,18,22,19,21,4,27,3,5,11,14,23,8,7,10,17,20,24,9/E:(1,2)(4,5)(9,10)(11,12)(14,15)(16,17)/rA:31nCCCCCCFCONCCCCCCNCCNCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;s20;s17s21;s20;d23;s23;s25;s26;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30FN3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1483 |
Area: | 670.58 |
Solvation: | -4.61621 |
Coulombic: | -47.6888 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 423.523 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.49 |
LogP (Chemaxon): | 4.65 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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