Chemical ID: 3847906

Cc1ccc(cc1NC(=O)CCC(=O)NCc2ccco2)Cl
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

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Descriptor Annotations

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