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Chemical ID: 4804082
Chemical ID:
4804082
Name [?]:
2-chloro-N-(2-furylmethyl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILES [?]:
COc1ccc(cc1)CN(Cc2ccco2)C(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C20H18ClNO3/c1-24-16-10-8-15(9-11-16)13-22(14-17-5-4-12-25-17)20(23)18-6-2-3-7-19(18)21/h2-12H,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,14,13,20,23,5,7,4,8,15,9,11,6,3,12,19,24,17,25,10,18,2,16/E:(8,9)(10,11)/rA:25nCOCCCCCCCNCCCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;s12s15;s10;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClNO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0669 |
Area: | 538.241 |
Solvation: | -4.38913 |
Coulombic: | -33.4821 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 355.815 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.22 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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