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Chemical ID: 5911007
Chemical ID:
5911007
Name [?]:
2-chloro-N-(2-furylmethyl)-N-phenethyl-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CCN(Cc2ccco2)C(=O)C(c3ccccc3)Cl
InChi [?]:
InChI=1/C21H20ClNO2/c22-20(18-10-5-2-6-11-18)21(24)23(16-19-12-7-15-25-19)14-13-17-8-3-1-4-9-17/h1-12,15,20H,13-14,16H2
InChi Info:
AuxInfo=1/0/N:1,22,2,6,21,23,13,3,5,20,24,12,7,8,14,10,4,19,11,18,16,25,9,17,15/E:(3,4)(5,6)(8,9)(10,11)/rA:25cCCCCCCCCNCCCCCOCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;s11s14;s9;d16;s16;s18;s19;d20;s21;d22;d19s23;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClNO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1019 |
Area: | 571.93 |
Solvation: | -3.19635 |
Coulombic: | -27.8527 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.842 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.85 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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