Chemical ID: 4083791

COC(=O)c1ccccc1NC(=O)COc2ccc(cc2Cl)Cl
Chemical ID:
4083791
Name [?]:
methyl 2-[2-(2,4-dichlorophenoxy)acetyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)COc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2NO4/c1-22-16(21)11-4-2-3-5-13(11)19-15(20)9-23-14-7-6-10(17)8-12(14)18/h2-8H,9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,18,17,20,14,19,5,21,10,16,12,3,23,22,11,13,4,2,15/rA:23nCOCOCCCCCCNCOCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl2NO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.27189
Area:555.818
Solvation:-4.62355
Coulombic:-48.8843
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.184
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.28
LogP (Chemaxon):4.11

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue