Chemical ID: 4450516

CCc1ccc(o1)C(=O)Nc2ccc(c(c2)Cl)Cl
Chemical ID:
4450516
Name [?]:
N-(3,4-dichlorophenyl)-5-ethyl-furan-2-carboxamide
SMILES [?]:
CCc1ccc(o1)C(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2NO2/c1-2-9-4-6-12(18-9)13(17)16-8-3-5-10(14)11(15)7-8/h3-7H,2H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,12,4,13,5,16,11,3,14,15,6,8,18,17,10,9,7/rA:18nCCCCCCOCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;s3s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11Cl2NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.83543
Area:470.159
Solvation:-1.91856
Coulombic:-31.4222
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:284.137
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.43
LogP (Chemaxon):3.57

Name Annotations

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Descriptor Annotations

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