Chemical ID: 5105226

c1cc(oc1)CN(CC(=O)Nc2c(cc(cc2Cl)Cl)Cl)C(=O)c3ccc(cc3)Cl
Chemical ID:
5105226
Name [?]:
4-chloro-N-(2-furylmethyl)-N-[(2,4,6-trichlorophenyl)carbamoylmethyl]benzamide
SMILES [?]:
c1cc(oc1)CN(CC(=O)Nc2c(cc(cc2Cl)Cl)Cl)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H14Cl4N2O3/c21-13-5-3-12(4-6-13)20(28)26(10-15-2-1-7-29-15)11-18(27)25-19-16(23)8-14(22)9-17(19)24/h1-9H,10-11H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,24,28,25,27,5,14,16,6,8,23,26,15,3,13,17,9,12,21,29,19,20,18,11,7,10,22,4/E:(3,4)(5,6)(8,9)(16,17)(23,24)/rA:29nCCCOCCNCCONCCCCCCClClClCOCCCCCCCl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;s7;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14Cl4N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.0887
Area:652.613
Solvation:-4.22665
Coulombic:-46.0854
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:472.148
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.2
LogP (Chemaxon):3.77

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Descriptor Annotations

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