Chemical ID: 5343110

c1cc(cc(c1)F)C(=O)Nc2cccc(c2N3CCCCC3)Cl
Chemical ID:
5343110
Name [?]:
N-[3-chloro-2-(1-piperidyl)phenyl]-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2cccc(c2N3CCCCC3)Cl
InChi [?]:
InChI=1/C18H18ClFN2O/c19-15-8-5-9-16(17(15)22-10-2-1-3-11-22)21-18(23)13-6-4-7-14(20)12-13/h4-9,12H,1-3,10-11H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:20,19,21,1,13,2,6,14,12,18,22,4,3,5,15,11,16,8,23,7,10,17,9/E:(2,3)(10,11)/rA:23nCCCCCCFCONCCCCCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s20;s17s21;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClFN2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0447
Area:503.012
Solvation:-2.53056
Coulombic:-34.006
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.799
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.85
LogP (Chemaxon):4.75

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