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Chemical ID: 7355074
Chemical ID:
7355074
Name [?]:
1-[(4-bromo-2-fluoro-phenyl)carbamoylmethyl]piperidine-4-carboxamide
SMILES [?]:
c1cc(c(cc1Br)F)NC(=O)CN2CCC(CC2)C(=O)N
InChi [?]:
InChI=1/C14H17BrFN3O2/c15-10-1-2-12(11(16)7-10)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:1,2,15,17,14,18,5,12,16,6,4,3,10,19,7,8,21,9,13,11,20/E:(3,4)(5,6)/rA:21nCCCCCCBrFNCOCNCCCCCCON/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17BrFN3O2 |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.93894 |
Area: | 493.583 |
Solvation: | -4.40063 |
Coulombic: | -53.1849 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 358.206 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.95 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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