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Chemical ID: 7356860
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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