Chemical ID: 4229531

Cc1c2ccccc2oc1C(=O)Nc3cc(c(cc3Cl)Cl)Cl
Chemical ID:
4229531
Name [?]:
3-methyl-N-(2,4,5-trichlorophenyl)-benzofuran-2-carboxamide
SMILES [?]:
Cc1c2ccccc2oc1C(=O)Nc3cc(c(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C16H10Cl3NO2/c1-8-9-4-2-3-5-14(9)22-15(8)16(21)20-13-7-11(18)10(17)6-12(13)19/h2-7H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,18,15,2,3,17,16,19,14,8,10,11,21,22,20,13,12,9/rA:22nCCCCCCCCOCCONCCCCCCClClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl3NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.516
Area:525.65
Solvation:-1.62525
Coulombic:-33.2019
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:354.614
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.06
LogP (Chemaxon):4.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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