Chemical ID: 5588481

CCOC(=O)c1ccccc1NC(=O)c2cccc(c2Cl)Cl
Chemical ID:
5588481
Name [?]:
ethyl 2-(2,3-dichlorobenzoyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)c2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2NO3/c1-2-22-16(21)10-6-3-4-9-13(10)19-15(20)11-7-5-8-12(17)14(11)18/h3-9H,2H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,17,7,16,18,10,6,15,19,11,20,13,4,22,21,12,14,5,3/rA:22nCCOCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl2NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5708
Area:519.689
Solvation:-2.4214
Coulombic:-43.2373
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.185
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.03
LogP (Chemaxon):4.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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