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Chemical ID: 6168890
Chemical ID:
6168890
Name [?]:
N-benzyl-1-(4-chlorophenyl)-cyclopentane-1-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C2(CCCC2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H20ClNO/c20-17-10-8-16(9-11-17)19(12-4-5-13-19)18(22)21-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,5,17,21,18,20,12,15,7,4,16,19,9,11,22,8,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:22nCCCCCCCNCOCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s11s14;s11;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClNO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2513 |
Area: | 519.464 |
Solvation: | -1.73533 |
Coulombic: | -25.8552 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.821 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.29 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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