Chemical ID: 6002236

CCCN(CC(=O)Nc1ccon1)C(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
6002236
Name [?]:
3,4-dichloro-N-(isoxazol-3-ylcarbamoylmethyl)-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)Nc1ccon1)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2N3O3/c1-2-6-20(9-14(21)18-13-5-7-23-19-13)15(22)10-3-4-11(16)12(17)8-10/h3-5,7-8H,2,6,9H2,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,10,3,11,21,5,16,19,20,9,6,14,23,22,8,13,4,7,15,12/rA:23nCCCNCCONCCCONCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d9s12;s4;d14;s14;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15Cl2N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.5483
Area:548.714
Solvation:-4.16955
Coulombic:-41.7518
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.203
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.38
LogP (Chemaxon):3.32

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