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Chemical ID: 3847906
Chemical ID:
3847906
Name [?]:
N-(5-chloro-2-methyl-phenyl)-N'-(2-furylmethyl)butanediamide
SMILES [?]:
Cc1ccc(cc1NC(=O)CCC(=O)NCc2ccco2)Cl
InChi [?]:
InChI=1/C16H17ClN2O3/c1-11-4-5-12(17)9-14(11)19-16(21)7-6-15(20)18-10-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,3,4,12,11,20,6,16,2,5,17,7,13,9,22,15,8,14,10,21/rA:22nCCCCCCCNCOCCCONCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;s17s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83144 |
Area: | 547.893 |
Solvation: | -3.86589 |
Coulombic: | -46.6554 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 320.771 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.69 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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