Chemical ID: 7356860

c1cc(c(cc1NC(=O)CN2CCC(CC2)C(=O)N)Cl)F
Chemical ID:
7356860
Name [?]:
1-[(3-chloro-4-fluoro-phenyl)carbamoylmethyl]piperidine-4-carboxamide
SMILES [?]:
c1cc(c(cc1NC(=O)CN2CCC(CC2)C(=O)N)Cl)F
InChi [?]:
InChI=1/C14H17ClFN3O2/c15-11-7-10(1-2-12(11)16)18-13(20)8-19-5-3-9(4-6-19)14(17)21/h1-2,7,9H,3-6,8H2,(H2,17,21)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,13,15,12,16,5,10,14,6,4,3,8,17,20,21,19,7,11,9,18/E:(3,4)(5,6)/rA:21nCCCCCCNCOCNCCCCCCONClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17ClFN3O2
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.54449
Area:498.092
Solvation:-4.90781
Coulombic:-52.4565
Bond Count [?]
All:22
Single:17
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.755
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.77
LogP (Chemaxon):1.08

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