Chemical ID: 6721128

c1ccc(cc1)N2CCN(CC2)C(=O)CNC(=O)c3ccccc3F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue