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Chemical ID: 5911220
Chemical ID:
5911220
Name [?]:
N-benzyl-2-(4-chlorophenoxy)-N-[(5-methyl-2-furyl)methyl]acetamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H20ClNO3/c1-16-7-10-20(26-16)14-23(13-17-5-3-2-4-6-17)21(24)15-25-19-11-8-18(22)9-12-19/h2-12H,13-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,3,22,24,4,21,25,9,7,18,2,10,23,20,5,16,26,8,17,19,6/E:(3,4)(5,6)(8,9)(11,12)/rA:26nCCCCCOCNCCCCCCCCOCOCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClNO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51602 |
Area: | 593.417 |
Solvation: | -5.3194 |
Coulombic: | -32.138 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.841 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.23 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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