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Chemical ID: 6721128
Chemical ID:
6721128
Name [?]:
2-fluoro-N-[(4-phenylpiperazin-1-yl)carbonylmethyl]benzamide
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)C(=O)CNC(=O)c3ccccc3F
InChi [?]:
InChI=1/C19H20FN3O2/c20-17-9-5-4-8-16(17)19(25)21-14-18(24)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,3,5,20,23,8,12,9,11,15,4,19,24,13,17,25,16,7,10,14,18/E:(2,3)(6,7)(10,11)(12,13)/rA:25nCCCCCCNCCNCCCOCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20FN3O2 |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10681 |
Area: | 549.329 |
Solvation: | -4.62643 |
Coulombic: | -48.6694 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 341.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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