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Chemical ID: 7515658
Chemical ID:
7515658
Name [?]:
4-butoxy-3,5-dichloro-N-(2-methoxyphenyl)-benzamide
SMILES [?]:
CCCCOc1c(cc(cc1Cl)C(=O)Nc2ccccc2OC)Cl
InChi [?]:
InChI=1/C18H19Cl2NO3/c1-3-4-9-24-17-13(19)10-12(11-14(17)20)18(22)21-15-7-5-6-8-16(15)23-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,18,19,17,20,4,8,10,9,7,11,16,21,6,13,24,12,15,14,22,5/E:(10,11)(13,14)(19,20)/rA:24nCCCCOCCCCCCClCONCCCCCCOCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s9;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2NO3 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8151 |
Area: | 587.026 |
Solvation: | -3.86053 |
Coulombic: | -38.7978 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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