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Chemical ID: 4407596
Chemical ID:
4407596
Name [?]:
N-(2-bromophenyl)-1-(2-chlorobenzoyl)-piperidine-4-carboxamide
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCC(CC2)C(=O)Nc3ccccc3Br)Cl
InChi [?]:
InChI=1/C19H18BrClN2O2/c20-15-6-2-4-8-17(15)22-18(24)13-9-11-23(12-10-13)19(25)14-5-1-3-7-16(14)21/h1-8,13H,9-12H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,21,2,20,6,22,3,19,11,13,10,14,12,5,23,4,18,15,7,24,25,17,9,16,8/E:(9,10)(11,12)/rA:25nCCCCCCCONCCCCCCONCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18BrClN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0151 |
Area: | 567.873 |
Solvation: | -3.18169 |
Coulombic: | -39.229 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 421.715 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.26 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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