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Chemical ID: 6643981
Chemical ID:
6643981
Name [?]:
N-[(4-butoxyphenyl)methyleneamino]-2-(4-chlorophenoxy)-acetamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C19H21ClN2O3/c1-2-3-12-24-17-8-4-15(5-9-17)13-21-22-19(23)14-25-18-10-6-16(20)7-11-18/h4-11,13H,2-3,12,14H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,10,21,23,7,11,20,24,4,12,17,9,22,6,19,15,25,13,14,16,5,18/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCOCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21ClN2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80302 |
Area: | 619.139 |
Solvation: | -6.67546 |
Coulombic: | -34.0601 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 360.834 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.56 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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